NPASS Natural Product

Natural Product: NPC469689

Natural Product ID:	NPC469689
Common Name:	7-Hydroxy-1-(4-Hydroxy-3,5-Dimethoxyphenyl)-2-N,3-N-Bis[2-(4-Hydroxyphenyl)Ethyl]-6,8-Dimethoxy-1,2-Dihydronaphthalene-2,3-Dicarboxamide
IUPAC Name:	7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
Synonyms:
Molecular Formula:	C38H40N2O10
Standard InCHIKey:	IFNFMIMLJKQPGW-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C38H40N2O10/c1-47-28-19-24(20-29(48-2)34(28)43)31-32-23(18-30(49-3)35(44)36(32)50-4)17-27(37(45)39-15-13-21-5-9-25(41)10-6-21)33(31)38(46)40-16-14-22-7-11-26(42)12-8-22/h5-12,17-20,31,33,41-44H,13-16H2,1-4H3,(H,39,45)(H,40,46)
Canonical SMILES:	COc1cc2C=C(C(=O)NCCc3ccc(cc3)O)C(C(c2c(c1O)OC)c1cc(OC)c(c(c1)OC)O)C(=NCCc1ccc(cc1)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO7472	Litsea hypophaea	Species	Lauraceae	Eukaryota	roots			PMID[20384293]

Biological Activity

Activity Type	# Activity
MIC	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	100	ug/ml	24766560

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC469689 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	228
0.1-0.2	1101
0.2-0.3	2795
0.3-0.4	7801
0.4-0.5	5151
0.5-0.6	5459
0.6-0.7	7838
0.7-0.8	512
0.8-0.85	1
0.85-0.9	0
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC471031
0.9831	High Similarity	NPC281629
0.9435	High Similarity	NPC124626
0.809	Intermediate Similarity	NPC107602
0.7961	Intermediate Similarity	NPC82056
0.7935	Intermediate Similarity	NPC149389
0.7921	Intermediate Similarity	NPC127402
0.7876	Intermediate Similarity	NPC29531
0.7835	Intermediate Similarity	NPC274661
0.7835	Intermediate Similarity	NPC11296
0.7835	Intermediate Similarity	NPC82457
0.7835	Intermediate Similarity	NPC175890
0.7835	Intermediate Similarity	NPC48490
0.7806	Intermediate Similarity	NPC471563
0.7795	Intermediate Similarity	NPC191132
0.7795	Intermediate Similarity	NPC318805
0.7795	Intermediate Similarity	NPC41122
0.7795	Intermediate Similarity	NPC60295
0.7778	Intermediate Similarity	NPC38964
0.7754	Intermediate Similarity	NPC473748
0.7727	Intermediate Similarity	NPC234318
0.7668	Intermediate Similarity	NPC30779
0.7665	Intermediate Similarity	NPC476565
0.7656	Intermediate Similarity	NPC474507
0.7647	Intermediate Similarity	NPC90984
0.7626	Intermediate Similarity	NPC256124
0.7626	Intermediate Similarity	NPC85381
0.7617	Intermediate Similarity	NPC286119
0.7614	Intermediate Similarity	NPC259350
0.7614	Intermediate Similarity	NPC223236
0.7612	Intermediate Similarity	NPC475654
0.7584	Intermediate Similarity	NPC5462
0.7582	Intermediate Similarity	NPC114124
0.7581	Intermediate Similarity	NPC50380
0.7581	Intermediate Similarity	NPC179250
0.7577	Intermediate Similarity	NPC223690
0.7577	Intermediate Similarity	NPC251735
0.7577	Intermediate Similarity	NPC279228
0.7577	Intermediate Similarity	NPC138083
0.7577	Intermediate Similarity	NPC185639
0.7577	Intermediate Similarity	NPC271013
0.7577	Intermediate Similarity	NPC54654
0.7577	Intermediate Similarity	NPC104196
0.7577	Intermediate Similarity	NPC290582
0.7577	Intermediate Similarity	NPC182052
0.7577	Intermediate Similarity	NPC7715
0.7577	Intermediate Similarity	NPC311973
0.7577	Intermediate Similarity	NPC8836
0.7577	Intermediate Similarity	NPC239824
0.7577	Intermediate Similarity	NPC222661
0.7577	Intermediate Similarity	NPC90998
0.7577	Intermediate Similarity	NPC181796
0.7577	Intermediate Similarity	NPC217748
0.7577	Intermediate Similarity	NPC229373
0.7577	Intermediate Similarity	NPC49075
0.7577	Intermediate Similarity	NPC290005
0.7577	Intermediate Similarity	NPC15414
0.7577	Intermediate Similarity	NPC42663
0.7577	Intermediate Similarity	NPC258657
0.7577	Intermediate Similarity	NPC285931
0.7577	Intermediate Similarity	NPC328155
0.7565	Intermediate Similarity	NPC99723
0.7552	Intermediate Similarity	NPC148709
0.7552	Intermediate Similarity	NPC476577
0.7552	Intermediate Similarity	NPC173416
0.7538	Intermediate Similarity	NPC274716
0.7538	Intermediate Similarity	NPC167116
0.7538	Intermediate Similarity	NPC254441
0.7538	Intermediate Similarity	NPC30182
0.7538	Intermediate Similarity	NPC478091
0.7538	Intermediate Similarity	NPC478092
0.7538	Intermediate Similarity	NPC473589
0.7513	Intermediate Similarity	NPC22115
0.7513	Intermediate Similarity	NPC275680
0.7487	Intermediate Similarity	NPC231371
0.7487	Intermediate Similarity	NPC478093
0.7486	Intermediate Similarity	NPC275027
0.7475	Intermediate Similarity	NPC206900
0.7474	Intermediate Similarity	NPC475479
0.7474	Intermediate Similarity	NPC243454
0.7472	Intermediate Similarity	NPC472087
0.7472	Intermediate Similarity	NPC472088
0.7462	Intermediate Similarity	NPC212237
0.7462	Intermediate Similarity	NPC116465
0.7461	Intermediate Similarity	NPC32064
0.7459	Intermediate Similarity	NPC262297
0.7458	Intermediate Similarity	NPC472092
0.7458	Intermediate Similarity	NPC472090
0.7458	Intermediate Similarity	NPC472091
0.7446	Intermediate Similarity	NPC78505
0.7442	Intermediate Similarity	NPC252156
0.7436	Intermediate Similarity	NPC195538
0.7436	Intermediate Similarity	NPC239584
0.7436	Intermediate Similarity	NPC257269
0.7418	Intermediate Similarity	NPC77598
0.7416	Intermediate Similarity	NPC472089
0.7411	Intermediate Similarity	NPC16357
0.7411	Intermediate Similarity	NPC95426
0.7411	Intermediate Similarity	NPC302245
0.7409	Intermediate Similarity	NPC329969
0.7398	Intermediate Similarity	NPC476202
0.7396	Intermediate Similarity	NPC475215
0.7396	Intermediate Similarity	NPC108434
0.7385	Intermediate Similarity	NPC119068
0.7385	Intermediate Similarity	NPC40496
0.738	Intermediate Similarity	NPC329837
0.7374	Intermediate Similarity	NPC139783
0.7374	Intermediate Similarity	NPC65312
0.7368	Intermediate Similarity	NPC286790
0.7368	Intermediate Similarity	NPC53146
0.7368	Intermediate Similarity	NPC473445
0.7368	Intermediate Similarity	NPC188120
0.7366	Intermediate Similarity	NPC244191
0.7358	Intermediate Similarity	NPC192135
0.7358	Intermediate Similarity	NPC66341
0.7358	Intermediate Similarity	NPC188079
0.7358	Intermediate Similarity	NPC477020
0.7347	Intermediate Similarity	NPC230276
0.7344	Intermediate Similarity	NPC69712
0.7344	Intermediate Similarity	NPC477562
0.7344	Intermediate Similarity	NPC26240
0.7337	Intermediate Similarity	NPC208890
0.7337	Intermediate Similarity	NPC186546
0.7337	Intermediate Similarity	NPC476576
0.733	Intermediate Similarity	NPC291977
0.7323	Intermediate Similarity	NPC249996
0.7321	Intermediate Similarity	NPC46990
0.732	Intermediate Similarity	NPC180768
0.7318	Intermediate Similarity	NPC222039
0.7318	Intermediate Similarity	NPC100478
0.7313	Intermediate Similarity	NPC24260
0.7308	Intermediate Similarity	NPC126291
0.7306	Intermediate Similarity	NPC239775
0.7302	Intermediate Similarity	NPC60186
0.73	Intermediate Similarity	NPC470642
0.7293	Intermediate Similarity	NPC16353
0.7291	Intermediate Similarity	NPC279665
0.7286	Intermediate Similarity	NPC474009
0.7283	Intermediate Similarity	NPC478189
0.7283	Intermediate Similarity	NPC476969
0.7278	Intermediate Similarity	NPC183709
0.7277	Intermediate Similarity	NPC223077
0.7277	Intermediate Similarity	NPC56887
0.7277	Intermediate Similarity	NPC13916
0.7277	Intermediate Similarity	NPC42797
0.7277	Intermediate Similarity	NPC193853
0.7277	Intermediate Similarity	NPC264850
0.7277	Intermediate Similarity	NPC68328
0.7273	Intermediate Similarity	NPC120102
0.7273	Intermediate Similarity	NPC276120
0.7268	Intermediate Similarity	NPC256935
0.7268	Intermediate Similarity	NPC242728
0.7264	Intermediate Similarity	NPC475597
0.7264	Intermediate Similarity	NPC473716
0.7263	Intermediate Similarity	NPC141574
0.726	Intermediate Similarity	NPC475768
0.7259	Intermediate Similarity	NPC216307
0.7258	Intermediate Similarity	NPC476434
0.7255	Intermediate Similarity	NPC50548
0.7254	Intermediate Similarity	NPC168753
0.7254	Intermediate Similarity	NPC164608
0.7254	Intermediate Similarity	NPC118274
0.725	Intermediate Similarity	NPC283207
0.725	Intermediate Similarity	NPC174122
0.725	Intermediate Similarity	NPC64140
0.7249	Intermediate Similarity	NPC66678
0.7249	Intermediate Similarity	NPC125495
0.7249	Intermediate Similarity	NPC202839
0.7249	Intermediate Similarity	NPC37543
0.7249	Intermediate Similarity	NPC470827
0.7249	Intermediate Similarity	NPC178976
0.7249	Intermediate Similarity	NPC199463
0.7247	Intermediate Similarity	NPC296898
0.7245	Intermediate Similarity	NPC98583
0.7241	Intermediate Similarity	NPC470646
0.724	Intermediate Similarity	NPC204947
0.7232	Intermediate Similarity	NPC313081
0.7231	Intermediate Similarity	NPC19273
0.7231	Intermediate Similarity	NPC17884
0.7225	Intermediate Similarity	NPC24465
0.7225	Intermediate Similarity	NPC209377
0.7225	Intermediate Similarity	NPC11708
0.7219	Intermediate Similarity	NPC178574
0.7219	Intermediate Similarity	NPC65591
0.7219	Intermediate Similarity	NPC149889
0.7219	Intermediate Similarity	NPC475141
0.7219	Intermediate Similarity	NPC312338
0.7216	Intermediate Similarity	NPC317145
0.7216	Intermediate Similarity	NPC10908
0.7216	Intermediate Similarity	NPC227060
0.7216	Intermediate Similarity	NPC63646
0.7216	Intermediate Similarity	NPC115284
0.7216	Intermediate Similarity	NPC198498
0.7216	Intermediate Similarity	NPC276890
0.7216	Intermediate Similarity	NPC76682
0.7216	Intermediate Similarity	NPC317439
0.7214	Intermediate Similarity	NPC281581
0.7214	Intermediate Similarity	NPC82763
0.7211	Intermediate Similarity	NPC104876
0.7211	Intermediate Similarity	NPC470828

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC469689 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	159
0.1-0.2	649
0.2-0.3	919
0.3-0.4	2062
0.4-0.5	2759
0.5-0.6	1797
0.6-0.7	768
0.7-0.8	48
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7805	Intermediate Similarity	NPD7827	Phase 1
0.7577	Intermediate Similarity	NPD8053	Approved
0.7577	Intermediate Similarity	NPD8054	Approved
0.7525	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7513	Intermediate Similarity	NPD8051	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD8058	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD8059	Phase 3
0.7389	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD4357	Discontinued
0.7333	Intermediate Similarity	NPD7801	Approved
0.7327	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD7177	Discontinued
0.7277	Intermediate Similarity	NPD8149	Discontinued
0.725	Intermediate Similarity	NPD6377	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD6618	Phase 2
0.7216	Intermediate Similarity	NPD8251	Approved
0.7216	Intermediate Similarity	NPD8099	Discontinued
0.7216	Intermediate Similarity	NPD8252	Approved
0.7198	Intermediate Similarity	NPD6823	Phase 2
0.7179	Intermediate Similarity	NPD8156	Discontinued
0.7172	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD7473	Discontinued
0.7156	Intermediate Similarity	NPD6997	Phase 2
0.7121	Intermediate Similarity	NPD7549	Discontinued
0.7116	Intermediate Similarity	NPD7047	Phase 3
0.711	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD6297	Approved
0.7098	Intermediate Similarity	NPD6232	Discontinued
0.7097	Intermediate Similarity	NPD8318	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD6146	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD8151	Discontinued
0.7071	Intermediate Similarity	NPD7038	Approved
0.7071	Intermediate Similarity	NPD7039	Approved
0.7068	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD6973	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD6853	Approved
0.705	Intermediate Similarity	NPD6851	Approved
0.7044	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7228	Approved
0.7031	Intermediate Similarity	NPD6234	Discontinued
0.703	Intermediate Similarity	NPD7693	Approved
0.703	Intermediate Similarity	NPD7291	Discontinued
0.7022	Intermediate Similarity	NPD6723	Discontinued
0.7	Intermediate Similarity	NPD4585	Approved
0.6996	Remote Similarity	NPD7654	Discontinued
0.6995	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD7861	Discontinued
0.6984	Remote Similarity	NPD7110	Phase 1
0.6984	Remote Similarity	NPD5089	Approved
0.6984	Remote Similarity	NPD5090	Approved
0.6984	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD4055	Discovery
0.6968	Remote Similarity	NPD824	Approved
0.6957	Remote Similarity	NPD2219	Phase 1
0.6952	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD37	Approved
0.6946	Remote Similarity	NPD7906	Approved
0.6939	Remote Similarity	NPD3451	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD6894	Phase 1
0.6931	Remote Similarity	NPD6875	Approved
0.6931	Remote Similarity	NPD6876	Approved
0.6927	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7608	Discontinued
0.6915	Remote Similarity	NPD5035	Approved
0.6907	Remote Similarity	NPD6746	Phase 2
0.6905	Remote Similarity	NPD2494	Approved
0.6905	Remote Similarity	NPD3452	Approved
0.6905	Remote Similarity	NPD3450	Approved
0.6905	Remote Similarity	NPD2493	Approved
0.6901	Remote Similarity	NPD7584	Approved
0.6897	Remote Similarity	NPD8150	Discontinued
0.6891	Remote Similarity	NPD7833	Phase 2
0.6891	Remote Similarity	NPD7831	Phase 2
0.6891	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD4582	Approved
0.6887	Remote Similarity	NPD4583	Approved
0.6887	Remote Similarity	NPD7871	Phase 2
0.6887	Remote Similarity	NPD7870	Phase 2
0.6878	Remote Similarity	NPD2488	Approved
0.6878	Remote Similarity	NPD2490	Approved
0.6878	Remote Similarity	NPD4005	Discontinued
0.6878	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD5722	Discontinued
0.6857	Remote Similarity	NPD6778	Approved
0.6857	Remote Similarity	NPD6776	Approved
0.6857	Remote Similarity	NPD6781	Approved
0.6857	Remote Similarity	NPD6782	Approved
0.6857	Remote Similarity	NPD6779	Approved
0.6857	Remote Similarity	NPD6780	Approved
0.6857	Remote Similarity	NPD6777	Approved
0.6853	Remote Similarity	NPD6166	Phase 2
0.6853	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7783	Phase 2
0.685	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD3060	Approved
0.6845	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.684	Remote Similarity	NPD4004	Approved
0.684	Remote Similarity	NPD7697	Approved
0.684	Remote Similarity	NPD4002	Approved
0.684	Remote Similarity	NPD7696	Phase 3
0.684	Remote Similarity	NPD7698	Approved
0.6839	Remote Similarity	NPD4966	Approved
0.6839	Remote Similarity	NPD4967	Phase 2
0.6839	Remote Similarity	NPD4965	Approved
0.6834	Remote Similarity	NPD6042	Phase 2
0.6834	Remote Similarity	NPD5844	Phase 1
0.6834	Remote Similarity	NPD42	Phase 2
0.6832	Remote Similarity	NPD7311	Approved
0.6832	Remote Similarity	NPD7312	Approved
0.6832	Remote Similarity	NPD7313	Approved
0.6832	Remote Similarity	NPD7310	Approved
0.6828	Remote Similarity	NPD7124	Phase 2
0.6821	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD4666	Phase 3
0.6806	Remote Similarity	NPD6072	Discontinued
0.6806	Remote Similarity	NPD6873	Phase 2
0.6806	Remote Similarity	NPD6385	Approved
0.6806	Remote Similarity	NPD6386	Approved
0.6802	Remote Similarity	NPD5242	Approved
0.6802	Remote Similarity	NPD7907	Approved
0.6798	Remote Similarity	NPD7922	Phase 1
0.6798	Remote Similarity	NPD7309	Approved
0.6791	Remote Similarity	NPD7585	Approved
0.6791	Remote Similarity	NPD5297	Approved
0.6791	Remote Similarity	NPD7701	Phase 2
0.6788	Remote Similarity	NPD5978	Approved
0.6788	Remote Similarity	NPD5977	Approved
0.6782	Remote Similarity	NPD5032	Approved
0.6779	Remote Similarity	NPD4413	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD7248	Discontinued
0.6771	Remote Similarity	NPD7298	Approved
0.6769	Remote Similarity	NPD5709	Phase 3
0.6768	Remote Similarity	NPD2489	Approved
0.6768	Remote Similarity	NPD2898	Approved
0.6768	Remote Similarity	NPD27	Approved
0.6766	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD7435	Discontinued
0.6755	Remote Similarity	NPD1424	Approved
0.6755	Remote Similarity	NPD7447	Phase 1
0.6754	Remote Similarity	NPD4678	Approved
0.6754	Remote Similarity	NPD4675	Approved
0.6753	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD6788	Approved
0.6744	Remote Similarity	NPD7583	Approved
0.6736	Remote Similarity	NPD1465	Phase 2
0.6736	Remote Similarity	NPD2801	Approved
0.6729	Remote Similarity	NPD4040	Phase 1
0.6728	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD7874	Approved
0.6722	Remote Similarity	NPD2674	Phase 3
0.672	Remote Similarity	NPD8166	Discontinued
0.6719	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD7193	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD2969	Approved
0.6717	Remote Similarity	NPD2970	Approved
0.6714	Remote Similarity	NPD2973	Approved
0.6714	Remote Similarity	NPD2975	Approved
0.6714	Remote Similarity	NPD2974	Approved
0.671	Remote Similarity	NPD7048	Phase 3
0.6709	Remote Similarity	NPD8152	Approved
0.6709	Remote Similarity	NPD8153	Approved
0.6701	Remote Similarity	NPD7199	Phase 2
0.6701	Remote Similarity	NPD6959	Discontinued
0.67	Remote Similarity	NPD5028	Approved
0.67	Remote Similarity	NPD4955	Approved
0.67	Remote Similarity	NPD4954	Approved
0.67	Remote Similarity	NPD5026	Approved
0.67	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.67	Remote Similarity	NPD5034	Approved
0.67	Remote Similarity	NPD36	Approved
0.67	Remote Similarity	NPD7190	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD4580	Approved
0.6684	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD1934	Approved
0.6682	Remote Similarity	NPD7700	Phase 2
0.6682	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD7699	Phase 2
0.6667	Remote Similarity	NPD7263	Phase 2
0.6667	Remote Similarity	NPD6502	Phase 2
0.6667	Remote Similarity	NPD3144	Approved
0.6667	Remote Similarity	NPD3882	Suspended
0.6667	Remote Similarity	NPD4578	Approved
0.6667	Remote Similarity	NPD3051	Approved
0.6667	Remote Similarity	NPD3145	Approved
0.6667	Remote Similarity	NPD6020	Phase 2
0.6667	Remote Similarity	NPD7768	Phase 2
0.6667	Remote Similarity	NPD4577	Approved
0.6652	Remote Similarity	NPD7942	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD4466	Phase 1
0.665	Remote Similarity	NPD5030	Phase 2

Structure

NPC469689 OpenBabel07101719512D 50 54 0 0 1 0 0 0 0 0999 V2000 4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 3 49 1 0 0 0 0 4 50 1 0 0 0 0 5 9 1 0 0 0 0 5 21 2 0 0 0 0 6 10 2 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 22 2 0 0 0 0 8 12 2 0 0 0 0 8 22 1 0 0 0 0 9 25 2 0 0 0 0 10 25 1 0 0 0 0 11 26 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 17 27 2 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 28 1 0 0 0 0 20 24 1 0 0 0 0 20 29 2 0 0 0 0 23 32 1 0 0 0 0 24 31 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 33 1 0 0 0 0 27 37 1 0 0 0 0 28 34 2 0 0 0 0 28 47 1 0 0 0 0 29 34 1 0 0 0 0 29 48 1 0 0 0 0 30 35 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 36 2 0 0 0 0 33 38 1 0 0 0 0 34 43 1 0 0 0 0 35 36 1 0 0 0 0 35 44 1 0 0 0 0 36 50 1 0 0 0 0 37 39 1 0 0 0 0 37 45 2 0 0 0 0 38 40 2 3 0 0 0 38 46 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	46888126
ChEMBL	CHEMBL1099001
ZINC

Physicochemical Properties

Molecular Weight:	684.27
ALogP:	-2.3286
MLogP:	4.32
XLogP:	3.433
# Rotatable Bonds:	23
Polar Surface Area:	179.53
# H-Bond Aceptor:	4
# H-Bond Donor:	6
# Rings:	5
# Heavy Atoms:	50

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