NPASS Natural Product

Natural Product: NPC474599

Natural Product ID:	NPC474599
Common Name:	Strongylophorine-2
IUPAC Name:
Synonyms:	strongylophorine-2
Molecular Formula:	C26H34O4
Standard InCHIKey:	HFVKLEZASUROTL-PFCQETGDSA-N
Standard InCHI:	InChI=1S/C26H34O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-21,27H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24+,25-,26-/m0/s1
Canonical SMILES:	Oc1ccc2c(c1)C[C@@H]1[C@](O2)(C)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@]32CCC[C@@]1(C)C(=O)OC3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Collection Location	Reference
NPO33317	strongylophora	NA	NA	NA	Philippines	PMID[9677282]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota		PMID[25987373]
NPO33273	strongylophora strongilata	Species	NA	NA	Iriomote Island	PMID[26253631]

Biological Activity

Activity Type	# Activity
IC50	2
Others	2

Activity Type	# Activity
Individual Protein	1
Organism	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT176	Organism	Artemia salina	Artemia salina	LC50	=	533.5	ug/ml	15387645
NPT2	Others	Unspecified		IC50	<	100000	nM	18411326
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	>	24400	nM	19916528
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	IZ	=	7	mm	16562826

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 NPC474599 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	224
0.1-0.2	1068
0.2-0.3	1835
0.3-0.4	3650
0.4-0.5	7154
0.5-0.6	5353
0.6-0.7	7120
0.7-0.8	4378
0.8-0.85	86
0.85-0.9	16
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9706	High Similarity	NPC79372
0.9632	High Similarity	NPC265335
0.942	High Similarity	NPC76312
0.9343	High Similarity	NPC474610
0.913	High Similarity	NPC279463
0.8986	High Similarity	NPC211352
0.8978	High Similarity	NPC258073
0.8978	High Similarity	NPC153019
0.8897	High Similarity	NPC47288
0.8873	High Similarity	NPC472794
0.8873	High Similarity	NPC473049
0.8811	High Similarity	NPC472792
0.8811	High Similarity	NPC472791
0.8777	High Similarity	NPC27578
0.8777	High Similarity	NPC289624
0.8759	High Similarity	NPC176590
0.8667	High Similarity	NPC48671
0.8613	High Similarity	NPC128321
0.8603	High Similarity	NPC248557
0.8526	High Similarity	NPC140346
0.8521	High Similarity	NPC27394
0.8467	Intermediate Similarity	NPC474237
0.8446	Intermediate Similarity	NPC169942
0.8429	Intermediate Similarity	NPC206028
0.8382	Intermediate Similarity	NPC475839
0.8369	Intermediate Similarity	NPC475102
0.8356	Intermediate Similarity	NPC476191
0.8345	Intermediate Similarity	NPC98804
0.8333	Intermediate Similarity	NPC475011
0.8333	Intermediate Similarity	NPC477874
0.8333	Intermediate Similarity	NPC173569
0.8323	Intermediate Similarity	NPC469507
0.831	Intermediate Similarity	NPC474143
0.831	Intermediate Similarity	NPC474246
0.8299	Intermediate Similarity	NPC172311
0.8276	Intermediate Similarity	NPC249817
0.8267	Intermediate Similarity	NPC471608
0.8255	Intermediate Similarity	NPC316691
0.8239	Intermediate Similarity	NPC249425
0.8239	Intermediate Similarity	NPC475880
0.8235	Intermediate Similarity	NPC118033
0.8219	Intermediate Similarity	NPC22676
0.8219	Intermediate Similarity	NPC216940
0.8219	Intermediate Similarity	NPC475482
0.8219	Intermediate Similarity	NPC198621
0.82	Intermediate Similarity	NPC471600
0.8188	Intermediate Similarity	NPC473464
0.8188	Intermediate Similarity	NPC476332
0.8182	Intermediate Similarity	NPC473773
0.8182	Intermediate Similarity	NPC475579
0.8163	Intermediate Similarity	NPC475028
0.8163	Intermediate Similarity	NPC248287
0.8163	Intermediate Similarity	NPC234548
0.8163	Intermediate Similarity	NPC476025
0.8156	Intermediate Similarity	NPC142087
0.8156	Intermediate Similarity	NPC95034
0.8151	Intermediate Similarity	NPC194847
0.8151	Intermediate Similarity	NPC21797
0.8143	Intermediate Similarity	NPC320847
0.8143	Intermediate Similarity	NPC137416
0.8138	Intermediate Similarity	NPC213122
0.8133	Intermediate Similarity	NPC25491
0.8129	Intermediate Similarity	NPC105942
0.8129	Intermediate Similarity	NPC205392
0.8125	Intermediate Similarity	NPC317601
0.8125	Intermediate Similarity	NPC329427
0.8117	Intermediate Similarity	NPC475311
0.8117	Intermediate Similarity	NPC140133
0.8117	Intermediate Similarity	NPC473680
0.8117	Intermediate Similarity	NPC261659
0.8117	Intermediate Similarity	NPC473579
0.8117	Intermediate Similarity	NPC119252
0.8117	Intermediate Similarity	NPC475890
0.8117	Intermediate Similarity	NPC475454
0.8113	Intermediate Similarity	NPC155754
0.8113	Intermediate Similarity	NPC124747
0.8112	Intermediate Similarity	NPC473048
0.8112	Intermediate Similarity	NPC472793
0.8101	Intermediate Similarity	NPC239118
0.8092	Intermediate Similarity	NPC211565
0.8082	Intermediate Similarity	NPC475029
0.8082	Intermediate Similarity	NPC476018
0.8082	Intermediate Similarity	NPC472804
0.8071	Intermediate Similarity	NPC265413
0.8071	Intermediate Similarity	NPC10154
0.8069	Intermediate Similarity	NPC49742
0.8067	Intermediate Similarity	NPC477873
0.8067	Intermediate Similarity	NPC469447
0.8063	Intermediate Similarity	NPC473022
0.8058	Intermediate Similarity	NPC478058
0.8056	Intermediate Similarity	NPC473047
0.8054	Intermediate Similarity	NPC475044
0.8054	Intermediate Similarity	NPC475063
0.8054	Intermediate Similarity	NPC27518
0.8054	Intermediate Similarity	NPC304110
0.8054	Intermediate Similarity	NPC472801
0.8041	Intermediate Similarity	NPC132723
0.8041	Intermediate Similarity	NPC76032
0.8039	Intermediate Similarity	NPC142863
0.8038	Intermediate Similarity	NPC158542
0.8029	Intermediate Similarity	NPC51341
0.8025	Intermediate Similarity	NPC472621
0.8012	Intermediate Similarity	NPC25889
0.8	Intermediate Similarity	NPC85595
0.8	Intermediate Similarity	NPC139540
0.8	Intermediate Similarity	NPC177100
0.8	Intermediate Similarity	NPC251549
0.7988	Intermediate Similarity	NPC313304
0.7987	Intermediate Similarity	NPC473719
0.7987	Intermediate Similarity	NPC4950
0.7987	Intermediate Similarity	NPC146388
0.7987	Intermediate Similarity	NPC253591
0.7987	Intermediate Similarity	NPC475012
0.7987	Intermediate Similarity	NPC472617
0.7986	Intermediate Similarity	NPC48623
0.7986	Intermediate Similarity	NPC168707
0.7986	Intermediate Similarity	NPC196621
0.7975	Intermediate Similarity	NPC472622
0.7974	Intermediate Similarity	NPC60389
0.7974	Intermediate Similarity	NPC472936
0.7974	Intermediate Similarity	NPC472938
0.7974	Intermediate Similarity	NPC472937
0.7973	Intermediate Similarity	NPC471152
0.7971	Intermediate Similarity	NPC474131
0.7961	Intermediate Similarity	NPC90645
0.7961	Intermediate Similarity	NPC307205
0.7961	Intermediate Similarity	NPC260152
0.7961	Intermediate Similarity	NPC53520
0.7959	Intermediate Similarity	NPC291119
0.7959	Intermediate Similarity	NPC281169
0.7949	Intermediate Similarity	NPC476452
0.7947	Intermediate Similarity	NPC474154
0.7945	Intermediate Similarity	NPC18982
0.7945	Intermediate Similarity	NPC475627
0.7945	Intermediate Similarity	NPC475457
0.7945	Intermediate Similarity	NPC475346
0.7945	Intermediate Similarity	NPC476282
0.7943	Intermediate Similarity	NPC61685
0.7943	Intermediate Similarity	NPC190086
0.7943	Intermediate Similarity	NPC276962
0.7935	Intermediate Similarity	NPC146014
0.7933	Intermediate Similarity	NPC29599
0.7933	Intermediate Similarity	NPC155552
0.7929	Intermediate Similarity	NPC121168
0.7929	Intermediate Similarity	NPC302211
0.7925	Intermediate Similarity	NPC67197
0.7922	Intermediate Similarity	NPC477483
0.7922	Intermediate Similarity	NPC66991
0.7922	Intermediate Similarity	NPC470757
0.7922	Intermediate Similarity	NPC325032
0.7919	Intermediate Similarity	NPC474943
0.7919	Intermediate Similarity	NPC475005
0.7919	Intermediate Similarity	NPC202260
0.7917	Intermediate Similarity	NPC86257
0.7917	Intermediate Similarity	NPC131684
0.7917	Intermediate Similarity	NPC59654
0.7914	Intermediate Similarity	NPC125465
0.7914	Intermediate Similarity	NPC164852
0.7914	Intermediate Similarity	NPC45663
0.7908	Intermediate Similarity	NPC8102
0.7908	Intermediate Similarity	NPC475872
0.7908	Intermediate Similarity	NPC84786
0.7908	Intermediate Similarity	NPC66894
0.7899	Intermediate Similarity	NPC471449
0.7899	Intermediate Similarity	NPC42657
0.7899	Intermediate Similarity	NPC32152
0.7891	Intermediate Similarity	NPC194970
0.7891	Intermediate Similarity	NPC477210
0.7888	Intermediate Similarity	NPC109061
0.7887	Intermediate Similarity	NPC133407
0.7887	Intermediate Similarity	NPC477213
0.7887	Intermediate Similarity	NPC28476
0.7883	Intermediate Similarity	NPC187993
0.7883	Intermediate Similarity	NPC238176
0.7881	Intermediate Similarity	NPC186033
0.7875	Intermediate Similarity	NPC98083
0.7875	Intermediate Similarity	NPC7543
0.7875	Intermediate Similarity	NPC94220
0.7875	Intermediate Similarity	NPC24339
0.7875	Intermediate Similarity	NPC166456
0.7872	Intermediate Similarity	NPC261992
0.7871	Intermediate Similarity	NPC279442
0.7867	Intermediate Similarity	NPC475045
0.7862	Intermediate Similarity	NPC165483
0.7862	Intermediate Similarity	NPC7059
0.7862	Intermediate Similarity	NPC470725
0.7857	Intermediate Similarity	NPC474991
0.7857	Intermediate Similarity	NPC249340
0.7857	Intermediate Similarity	NPC162935
0.7857	Intermediate Similarity	NPC58752
0.7857	Intermediate Similarity	NPC286038
0.7852	Intermediate Similarity	NPC471542
0.7848	Intermediate Similarity	NPC472799
0.7848	Intermediate Similarity	NPC477691
0.7848	Intermediate Similarity	NPC62051
0.7847	Intermediate Similarity	NPC81261
0.7844	Intermediate Similarity	NPC294149
0.7843	Intermediate Similarity	NPC472457
0.7843	Intermediate Similarity	NPC292256
0.7842	Intermediate Similarity	NPC232295

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474599 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	236
0.1-0.2	893
0.2-0.3	1318
0.3-0.4	2242
0.4-0.5	2216
0.5-0.6	1334
0.6-0.7	727
0.7-0.8	187
0.8-0.85	8
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8146	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD6100	Approved
0.8095	Intermediate Similarity	NPD6099	Approved
0.8082	Intermediate Similarity	NPD7097	Phase 1
0.8056	Intermediate Similarity	NPD8032	Phase 2
0.8	Intermediate Similarity	NPD7003	Approved
0.8	Intermediate Similarity	NPD8166	Discontinued
0.7974	Intermediate Similarity	NPD6273	Approved
0.7935	Intermediate Similarity	NPD7458	Discontinued
0.7917	Intermediate Similarity	NPD7095	Approved
0.7877	Intermediate Similarity	NPD4060	Phase 1
0.7877	Intermediate Similarity	NPD4140	Approved
0.7868	Intermediate Similarity	NPD6671	Approved
0.7842	Intermediate Similarity	NPD1778	Approved
0.7823	Intermediate Similarity	NPD6355	Discontinued
0.7821	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD6663	Approved
0.7786	Intermediate Similarity	NPD3496	Discontinued
0.7778	Intermediate Similarity	NPD8127	Discontinued
0.7778	Intermediate Similarity	NPD5736	Approved
0.777	Intermediate Similarity	NPD5585	Approved
0.7762	Intermediate Similarity	NPD2797	Approved
0.774	Intermediate Similarity	NPD3268	Approved
0.774	Intermediate Similarity	NPD6798	Discontinued
0.7733	Intermediate Similarity	NPD2935	Discontinued
0.7692	Intermediate Similarity	NPD1283	Approved
0.7687	Intermediate Similarity	NPD6233	Phase 2
0.7682	Intermediate Similarity	NPD2346	Discontinued
0.7676	Intermediate Similarity	NPD1608	Approved
0.7655	Intermediate Similarity	NPD2861	Phase 2
0.7647	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD4110	Phase 3
0.7635	Intermediate Similarity	NPD2979	Phase 3
0.7625	Intermediate Similarity	NPD8455	Phase 2
0.7619	Intermediate Similarity	NPD7985	Registered
0.7619	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD1611	Approved
0.7606	Intermediate Similarity	NPD1535	Discovery
0.7605	Intermediate Similarity	NPD5844	Phase 1
0.7582	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD6696	Suspended
0.7561	Intermediate Similarity	NPD6959	Discontinued
0.7554	Intermediate Similarity	NPD7340	Approved
0.7552	Intermediate Similarity	NPD1481	Phase 2
0.7532	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD4628	Phase 3
0.7516	Intermediate Similarity	NPD7819	Suspended
0.75	Intermediate Similarity	NPD4477	Approved
0.75	Intermediate Similarity	NPD7644	Approved
0.75	Intermediate Similarity	NPD4359	Approved
0.75	Intermediate Similarity	NPD5327	Phase 3
0.75	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4476	Approved
0.7485	Intermediate Similarity	NPD8313	Approved
0.7485	Intermediate Similarity	NPD8312	Approved
0.7484	Intermediate Similarity	NPD3226	Approved
0.7483	Intermediate Similarity	NPD1281	Approved
0.7483	Intermediate Similarity	NPD4908	Phase 1
0.7468	Intermediate Similarity	NPD7427	Discontinued
0.7465	Intermediate Similarity	NPD4626	Approved
0.7465	Intermediate Similarity	NPD3019	Approved
0.7465	Intermediate Similarity	NPD17	Approved
0.7452	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD5762	Approved
0.7451	Intermediate Similarity	NPD6800	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD5763	Approved
0.744	Intermediate Similarity	NPD7228	Approved
0.7434	Intermediate Similarity	NPD2799	Discontinued
0.7434	Intermediate Similarity	NPD7033	Discontinued
0.7423	Intermediate Similarity	NPD7768	Phase 2
0.7417	Intermediate Similarity	NPD6353	Approved
0.741	Intermediate Similarity	NPD7229	Phase 3
0.7397	Intermediate Similarity	NPD3266	Approved
0.7397	Intermediate Similarity	NPD3267	Approved
0.7394	Intermediate Similarity	NPD5691	Approved
0.7386	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD4622	Approved
0.7351	Intermediate Similarity	NPD5735	Approved
0.7351	Intermediate Similarity	NPD4618	Approved
0.7343	Intermediate Similarity	NPD2932	Approved
0.7338	Intermediate Similarity	NPD6005	Phase 3
0.7338	Intermediate Similarity	NPD1398	Phase 1
0.7338	Intermediate Similarity	NPD6004	Phase 3
0.7338	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD6002	Phase 3
0.7324	Intermediate Similarity	NPD1894	Discontinued
0.7321	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD4308	Phase 3
0.7317	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD4625	Phase 3
0.7308	Intermediate Similarity	NPD3750	Approved
0.7305	Intermediate Similarity	NPD3787	Discontinued
0.7303	Intermediate Similarity	NPD6653	Approved
0.7299	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD7411	Suspended
0.7284	Intermediate Similarity	NPD6677	Suspended
0.7273	Intermediate Similarity	NPD2438	Suspended
0.7273	Intermediate Similarity	NPD1651	Approved
0.7273	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2531	Phase 2
0.7267	Intermediate Similarity	NPD2313	Discontinued
0.7266	Intermediate Similarity	NPD5535	Approved
0.726	Intermediate Similarity	NPD4749	Approved
0.726	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD5688	Approved
0.7255	Intermediate Similarity	NPD5689	Approved
0.7248	Intermediate Similarity	NPD2614	Approved
0.7239	Intermediate Similarity	NPD37	Approved
0.7235	Intermediate Similarity	NPD7177	Discontinued
0.723	Intermediate Similarity	NPD4624	Approved
0.7229	Intermediate Similarity	NPD6234	Discontinued
0.7226	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD4870	Approved
0.7212	Intermediate Similarity	NPD4966	Approved
0.7212	Intermediate Similarity	NPD4967	Phase 2
0.7212	Intermediate Similarity	NPD4965	Approved
0.7211	Intermediate Similarity	NPD3225	Approved
0.7197	Intermediate Similarity	NPD7976	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD2237	Approved
0.7179	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD4534	Discontinued
0.7176	Intermediate Similarity	NPD7473	Discontinued
0.7169	Intermediate Similarity	NPD7075	Discontinued
0.7161	Intermediate Similarity	NPD6032	Approved
0.716	Intermediate Similarity	NPD8051	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7199	Phase 2
0.7134	Intermediate Similarity	NPD6674	Discontinued
0.7133	Intermediate Similarity	NPD6832	Phase 2
0.7125	Intermediate Similarity	NPD2532	Approved
0.7125	Intermediate Similarity	NPD2534	Approved
0.7125	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD2533	Approved
0.7124	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD5124	Phase 1
0.7123	Intermediate Similarity	NPD1610	Phase 2
0.7118	Intermediate Similarity	NPD6166	Phase 2
0.7118	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD7028	Phase 2
0.7114	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD7157	Approved
0.711	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD7236	Approved
0.7105	Intermediate Similarity	NPD4062	Phase 3
0.7101	Intermediate Similarity	NPD6232	Discontinued
0.7091	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD5929	Approved
0.7083	Intermediate Similarity	NPD5494	Approved
0.708	Intermediate Similarity	NPD968	Approved
0.7078	Intermediate Similarity	NPD4097	Suspended
0.707	Intermediate Similarity	NPD2897	Discontinued
0.707	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD7037	Approved
0.7069	Intermediate Similarity	NPD7240	Approved
0.7066	Intermediate Similarity	NPD3749	Approved
0.7063	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD8434	Phase 2
0.7059	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3620	Phase 2
0.7059	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4307	Phase 2
0.7055	Intermediate Similarity	NPD3026	Approved
0.7055	Intermediate Similarity	NPD3023	Approved
0.7055	Intermediate Similarity	NPD3847	Discontinued
0.7052	Intermediate Similarity	NPD7074	Phase 3
0.7047	Intermediate Similarity	NPD6362	Approved
0.7047	Intermediate Similarity	NPD1203	Approved
0.7039	Intermediate Similarity	NPD3764	Approved
0.7035	Intermediate Similarity	NPD3751	Discontinued
0.7034	Intermediate Similarity	NPD3024	Approved
0.7034	Intermediate Similarity	NPD3025	Approved
0.703	Intermediate Similarity	NPD1934	Approved
0.703	Intermediate Similarity	NPD6844	Discontinued
0.7025	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD7635	Approved
0.7019	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD6502	Phase 2
0.7012	Intermediate Similarity	NPD6599	Discontinued
0.7006	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7440	Discontinued
0.7	Intermediate Similarity	NPD2798	Approved
0.7	Intermediate Similarity	NPD6584	Phase 3
0.7	Intermediate Similarity	NPD6666	Approved
0.7	Intermediate Similarity	NPD6667	Approved
0.7	Intermediate Similarity	NPD5647	Approved
0.7	Intermediate Similarity	NPD7315	Approved
0.6994	Remote Similarity	NPD7054	Approved
0.6994	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD4198	Discontinued
0.6989	Remote Similarity	NPD7435	Discontinued
0.6988	Remote Similarity	NPD5761	Phase 2

Structure

NPC474599 OpenBabel07101718282D 30 35 0 0 1 0 0 0 0 0999 V2000 0.7661 -2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -4.4376 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 5.1962 -2.0000 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 2.5981 -3.5000 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 5.1962 -3.0000 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 1.7321 -3.0000 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 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -1.7728 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 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8952 -2.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -3.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 24 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 26 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 17 27 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 6 0 0 0 19 26 1 0 0 0 0 20 24 1 6 0 0 0 20 26 1 0 0 0 0 21 23 1 6 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 1 1 6 0 0 0 24 2 1 1 0 0 0 25 3 1 6 0 0 0 25 30 1 0 0 0 0 26 10 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	24939957
ChEMBL	CHEMBL476499
ZINC

Physicochemical Properties

Molecular Weight:	410.25
ALogP:	0.3264
MLogP:	3.88
XLogP:	5.649
# Rotatable Bonds:	4
Polar Surface Area:	55.76
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	30

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