NPASS Natural Product

Natural Product: NPC472589

Natural Product ID:	NPC472589
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C35H29N3O7
Standard InCHIKey:	IYXYNNPNDDFRPB-UCQKPKSFSA-N
Standard InCHI:	InChI=1S/C35H29N3O7/c1-6-34(3,4)31-20(18-9-7-8-10-22(18)36-31)14-23-32(42)38-35(33(43)37-23)15-21-19-12-17(39)13-25(44-5)26(19)29(41)28-24(40)11-16(2)30(45-35)27(21)28/h6-15,36,39-40H,1H2,2-5H3,(H,37,43)(H,38,42)/b23-14-
Canonical SMILES:	COc1cc(O)cc2c1C(=O)c1c3C2=CC2(N=C(O)/C(=C/c4c5ccccc5[nH]c4C(C=C)(C)C)/N=C2O)Oc3c(cc1O)C
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
NPO32640	eurotium rubrum ma-150	Species	Aspergillaceae	Eukaryota	Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil.			PMID[25730346]

Biological Activity

Activity Type	# Activity
LD50	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT176	Organism	Artemia salina	Artemia salina	LD50	=	9.8	nM	10560729

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 NPC472589 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	399
0.1-0.2	1761
0.2-0.3	5641
0.3-0.4	6943
0.4-0.5	5250
0.5-0.6	8223
0.6-0.7	2520
0.7-0.8	150
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9911	High Similarity	NPC472588
0.8122	Intermediate Similarity	NPC302807
0.783	Intermediate Similarity	NPC469439
0.7826	Intermediate Similarity	NPC89549
0.7787	Intermediate Similarity	NPC129897
0.776	Intermediate Similarity	NPC67401
0.7756	Intermediate Similarity	NPC191489
0.7705	Intermediate Similarity	NPC473187
0.7673	Intermediate Similarity	NPC6786
0.7652	Intermediate Similarity	NPC475844
0.7636	Intermediate Similarity	NPC100734
0.7636	Intermediate Similarity	NPC315634
0.7636	Intermediate Similarity	NPC88923
0.7581	Intermediate Similarity	NPC217554
0.7571	Intermediate Similarity	NPC11408
0.756	Intermediate Similarity	NPC284141
0.7541	Intermediate Similarity	NPC477531
0.7531	Intermediate Similarity	NPC150239
0.7531	Intermediate Similarity	NPC174760
0.7531	Intermediate Similarity	NPC252251
0.75	Intermediate Similarity	NPC209174
0.75	Intermediate Similarity	NPC477532
0.75	Intermediate Similarity	NPC198503
0.75	Intermediate Similarity	NPC318068
0.749	Intermediate Similarity	NPC209981
0.748	Intermediate Similarity	NPC473188
0.7479	Intermediate Similarity	NPC473449
0.7459	Intermediate Similarity	NPC274640
0.745	Intermediate Similarity	NPC15406
0.7449	Intermediate Similarity	NPC277351
0.7448	Intermediate Similarity	NPC247803
0.7442	Intermediate Similarity	NPC284685
0.744	Intermediate Similarity	NPC49672
0.7427	Intermediate Similarity	NPC280799
0.7423	Intermediate Similarity	NPC230683
0.7412	Intermediate Similarity	NPC183537
0.7406	Intermediate Similarity	NPC169402
0.7398	Intermediate Similarity	NPC474688
0.7398	Intermediate Similarity	NPC474701
0.7388	Intermediate Similarity	NPC476997
0.7366	Intermediate Similarity	NPC51388
0.7364	Intermediate Similarity	NPC3207
0.7358	Intermediate Similarity	NPC476996
0.7358	Intermediate Similarity	NPC476998
0.7344	Intermediate Similarity	NPC77878
0.7328	Intermediate Similarity	NPC316065
0.7328	Intermediate Similarity	NPC289905
0.7325	Intermediate Similarity	NPC144452
0.7322	Intermediate Similarity	NPC116238
0.732	Intermediate Similarity	NPC476995
0.7317	Intermediate Similarity	NPC476994
0.7314	Intermediate Similarity	NPC225279
0.7308	Intermediate Similarity	NPC164374
0.7308	Intermediate Similarity	NPC137929
0.7303	Intermediate Similarity	NPC184408
0.7302	Intermediate Similarity	NPC119134
0.7286	Intermediate Similarity	NPC172355
0.7283	Intermediate Similarity	NPC208522
0.7265	Intermediate Similarity	NPC179287
0.7262	Intermediate Similarity	NPC132385
0.7261	Intermediate Similarity	NPC96131
0.7259	Intermediate Similarity	NPC478045
0.7252	Intermediate Similarity	NPC282346
0.725	Intermediate Similarity	NPC471284
0.7243	Intermediate Similarity	NPC61813
0.724	Intermediate Similarity	NPC90875
0.7238	Intermediate Similarity	NPC48353
0.7238	Intermediate Similarity	NPC308137
0.7238	Intermediate Similarity	NPC235900
0.7238	Intermediate Similarity	NPC310211
0.7237	Intermediate Similarity	NPC134637
0.7236	Intermediate Similarity	NPC202503
0.7231	Intermediate Similarity	NPC46561
0.7222	Intermediate Similarity	NPC291535
0.7222	Intermediate Similarity	NPC475112
0.7222	Intermediate Similarity	NPC475085
0.7216	Intermediate Similarity	NPC124313
0.7202	Intermediate Similarity	NPC473179
0.72	Intermediate Similarity	NPC473182
0.7197	Intermediate Similarity	NPC87413
0.7197	Intermediate Similarity	NPC23294
0.719	Intermediate Similarity	NPC293151
0.7188	Intermediate Similarity	NPC107123
0.7178	Intermediate Similarity	NPC118228
0.7175	Intermediate Similarity	NPC471303
0.7167	Intermediate Similarity	NPC473180
0.716	Intermediate Similarity	NPC233334
0.7155	Intermediate Similarity	NPC303951
0.7143	Intermediate Similarity	NPC473800
0.7137	Intermediate Similarity	NPC39500
0.7137	Intermediate Similarity	NPC207283
0.7137	Intermediate Similarity	NPC84164
0.7131	Intermediate Similarity	NPC476106
0.7126	Intermediate Similarity	NPC97746
0.7125	Intermediate Similarity	NPC187501
0.7125	Intermediate Similarity	NPC9894
0.7122	Intermediate Similarity	NPC237901
0.7122	Intermediate Similarity	NPC195788
0.712	Intermediate Similarity	NPC476999
0.7119	Intermediate Similarity	NPC469440
0.7114	Intermediate Similarity	NPC251071
0.7113	Intermediate Similarity	NPC9482
0.7113	Intermediate Similarity	NPC201697
0.7109	Intermediate Similarity	NPC188400
0.7104	Intermediate Similarity	NPC203373
0.7103	Intermediate Similarity	NPC39370
0.7102	Intermediate Similarity	NPC477533
0.7101	Intermediate Similarity	NPC193777
0.7098	Intermediate Similarity	NPC210296
0.7092	Intermediate Similarity	NPC473186
0.7088	Intermediate Similarity	NPC244543
0.7087	Intermediate Similarity	NPC166722
0.7083	Intermediate Similarity	NPC199667
0.7082	Intermediate Similarity	NPC70956
0.7082	Intermediate Similarity	NPC243834
0.708	Intermediate Similarity	NPC24019
0.7079	Intermediate Similarity	NPC470042
0.7071	Intermediate Similarity	NPC210828
0.7071	Intermediate Similarity	NPC39679
0.7071	Intermediate Similarity	NPC86834
0.7063	Intermediate Similarity	NPC96584
0.7063	Intermediate Similarity	NPC255800
0.7063	Intermediate Similarity	NPC101312
0.7061	Intermediate Similarity	NPC208084
0.7059	Intermediate Similarity	NPC300156
0.7059	Intermediate Similarity	NPC45190
0.7056	Intermediate Similarity	NPC114335
0.7056	Intermediate Similarity	NPC141915
0.7056	Intermediate Similarity	NPC280964
0.7052	Intermediate Similarity	NPC282033
0.7051	Intermediate Similarity	NPC72211
0.705	Intermediate Similarity	NPC189079
0.7046	Intermediate Similarity	NPC162484
0.7045	Intermediate Similarity	NPC122463
0.7042	Intermediate Similarity	NPC473181
0.7042	Intermediate Similarity	NPC209769
0.7034	Intermediate Similarity	NPC267423
0.7029	Intermediate Similarity	NPC249583
0.7029	Intermediate Similarity	NPC4687
0.7028	Intermediate Similarity	NPC79107
0.7028	Intermediate Similarity	NPC200888
0.7028	Intermediate Similarity	NPC475424
0.7024	Intermediate Similarity	NPC474192
0.7024	Intermediate Similarity	NPC475720
0.7021	Intermediate Similarity	NPC116701
0.7018	Intermediate Similarity	NPC260909
0.7016	Intermediate Similarity	NPC78609
0.7016	Intermediate Similarity	NPC314633
0.7011	Intermediate Similarity	NPC133609
0.7004	Intermediate Similarity	NPC470843
0.7004	Intermediate Similarity	NPC94541
0.7	Intermediate Similarity	NPC473185
0.6996	Remote Similarity	NPC478080
0.6996	Remote Similarity	NPC329631
0.6987	Remote Similarity	NPC18661
0.6984	Remote Similarity	NPC201508
0.6984	Remote Similarity	NPC475253
0.6983	Remote Similarity	NPC220337
0.698	Remote Similarity	NPC473183
0.698	Remote Similarity	NPC189903
0.698	Remote Similarity	NPC182907
0.6977	Remote Similarity	NPC160100
0.6975	Remote Similarity	NPC223427
0.6973	Remote Similarity	NPC165964
0.6972	Remote Similarity	NPC194740
0.6969	Remote Similarity	NPC473184
0.6966	Remote Similarity	NPC70259
0.6962	Remote Similarity	NPC1608
0.6958	Remote Similarity	NPC283117
0.6958	Remote Similarity	NPC321428
0.6955	Remote Similarity	NPC185197
0.6953	Remote Similarity	NPC131486
0.6952	Remote Similarity	NPC227824
0.6944	Remote Similarity	NPC473806
0.6944	Remote Similarity	NPC471634
0.6942	Remote Similarity	NPC25961
0.6942	Remote Similarity	NPC470020
0.6941	Remote Similarity	NPC108342
0.6935	Remote Similarity	NPC270515
0.6933	Remote Similarity	NPC288759
0.6933	Remote Similarity	NPC198075
0.6933	Remote Similarity	NPC123019
0.6929	Remote Similarity	NPC470931
0.6929	Remote Similarity	NPC473105
0.6923	Remote Similarity	NPC205934
0.6923	Remote Similarity	NPC298436
0.6923	Remote Similarity	NPC43787
0.6923	Remote Similarity	NPC72715
0.6923	Remote Similarity	NPC58209
0.6917	Remote Similarity	NPC217176
0.6914	Remote Similarity	NPC218303
0.6911	Remote Similarity	NPC314552
0.6902	Remote Similarity	NPC208898
0.6898	Remote Similarity	NPC176113
0.6895	Remote Similarity	NPC132642
0.6892	Remote Similarity	NPC470018
0.6891	Remote Similarity	NPC473833
0.689	Remote Similarity	NPC49547
0.6885	Remote Similarity	NPC38237
0.6885	Remote Similarity	NPC116178

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472589 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	283
0.1-0.2	688
0.2-0.3	1031
0.3-0.4	1774
0.4-0.5	2799
0.5-0.6	2019
0.6-0.7	525
0.7-0.8	42
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
0.7756	Intermediate Similarity	NPD7708	Approved
0.7745	Intermediate Similarity	NPD7395	Discontinued
0.7636	Intermediate Similarity	NPD7803	Approved
0.7603	Intermediate Similarity	NPD7654	Discontinued
0.7579	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.748	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD5429	Discontinued
0.7442	Intermediate Similarity	NPD7955	Approved
0.7442	Intermediate Similarity	NPD7956	Approved
0.744	Intermediate Similarity	NPD7417	Discontinued
0.728	Intermediate Similarity	NPD7853	Phase 2
0.7202	Intermediate Similarity	NPD6974	Phase 3
0.7185	Intermediate Similarity	NPD8427	Approved
0.7185	Intermediate Similarity	NPD8428	Approved
0.7185	Intermediate Similarity	NPD8429	Approved
0.7143	Intermediate Similarity	NPD6773	Clinical (unspecified phase)
0.7137	Intermediate Similarity	NPD7994	Phase 2
0.7137	Intermediate Similarity	NPD1483	Discontinued
0.7126	Intermediate Similarity	NPD3925	Approved
0.7125	Intermediate Similarity	NPD5416	Discontinued
0.7122	Intermediate Similarity	NPD8466	Approved
0.7122	Intermediate Similarity	NPD8465	Approved
0.7122	Intermediate Similarity	NPD8467	Approved
0.7114	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3263	Phase 3
0.709	Intermediate Similarity	NPD8364	Approved
0.709	Intermediate Similarity	NPD8363	Approved
0.7078	Intermediate Similarity	NPD5612	Discontinued
0.7057	Intermediate Similarity	NPD6745	Discontinued
0.7052	Intermediate Similarity	NPD1505	Phase 2
0.7052	Intermediate Similarity	NPD6962	Phase 2
0.7037	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD6242	Discontinued
0.702	Intermediate Similarity	NPD5632	Approved
0.7018	Intermediate Similarity	NPD8459	Approved
0.7018	Intermediate Similarity	NPD8460	Approved
0.7018	Intermediate Similarity	NPD8426	Approved
0.7018	Intermediate Similarity	NPD8425	Approved
0.7017	Intermediate Similarity	NPD6138	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD7558	Phase 2
0.6996	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD5488	Discontinued
0.698	Remote Similarity	NPD3949	Clinical (unspecified phase)
0.6973	Remote Similarity	NPD5482	Discontinued
0.6966	Remote Similarity	NPD5512	Phase 3
0.6955	Remote Similarity	NPD6531	Approved
0.6955	Remote Similarity	NPD6530	Approved
0.6944	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD8461	Discontinued
0.6943	Remote Similarity	NPD8091	Phase 3
0.6938	Remote Similarity	NPD6716	Phase 1
0.6932	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD4373	Phase 2
0.6923	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD5164	Discontinued
0.6898	Remote Similarity	NPD5903	Approved
0.6898	Remote Similarity	NPD5902	Approved
0.6885	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD7069	Discontinued
0.6877	Remote Similarity	NPD6456	Discontinued
0.6877	Remote Similarity	NPD4898	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD6494	Phase 2
0.6857	Remote Similarity	NPD3945	Discontinued
0.685	Remote Similarity	NPD7689	Approved
0.685	Remote Similarity	NPD8067	Phase 3
0.6846	Remote Similarity	NPD3003	Approved
0.6844	Remote Similarity	NPD6220	Phase 3
0.6836	Remote Similarity	NPD2951	Discontinued
0.6822	Remote Similarity	NPD6550	Discontinued
0.6818	Remote Similarity	NPD7222	Phase 2
0.6815	Remote Similarity	NPD6198	Phase 1
0.6811	Remote Similarity	NPD4952	Phase 3
0.6811	Remote Similarity	NPD5022	Discontinued
0.6802	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5506	Approved
0.68	Remote Similarity	NPD5507	Approved
0.6793	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD5805	Approved
0.6773	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD8358	Approved
0.676	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.676	Remote Similarity	NPD7180	Phase 3
0.6758	Remote Similarity	NPD7797	Approved
0.6758	Remote Similarity	NPD7796	Approved
0.6753	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD7453	Approved
0.6749	Remote Similarity	NPD7452	Approved
0.6748	Remote Similarity	NPD8489	Phase 1
0.6748	Remote Similarity	NPD5866	Approved
0.6743	Remote Similarity	NPD6517	Phase 3
0.6736	Remote Similarity	NPD6874	Approved
0.6731	Remote Similarity	NPD4561	Discontinued
0.6723	Remote Similarity	NPD5003	Discontinued
0.6719	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD5067	Phase 2
0.6707	Remote Similarity	NPD5066	Phase 2
0.6707	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD4502	Phase 2
0.6707	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD7181	Phase 3
0.6694	Remote Similarity	NPD5293	Phase 2
0.6694	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6694	Remote Similarity	NPD4897	Phase 2
0.6693	Remote Similarity	NPD3746	Discontinued
0.668	Remote Similarity	NPD4511	Phase 1
0.668	Remote Similarity	NPD6985	Discontinued
0.6679	Remote Similarity	NPD7658	Phase 2
0.6667	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8059	Phase 3
0.6667	Remote Similarity	NPD7859	Phase 2
0.6667	Remote Similarity	NPD7922	Phase 1
0.6667	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8016	Phase 3
0.6667	Remote Similarity	NPD5450	Discontinued
0.6667	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6655	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD7194	Discontinued
0.6653	Remote Similarity	NPD6376	Discontinued
0.6642	Remote Similarity	NPD7673	Phase 3
0.664	Remote Similarity	NPD4989	Phase 2
0.664	Remote Similarity	NPD7801	Approved
0.6628	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD4885	Approved
0.6627	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD5479	Discontinued
0.6614	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD7548	Discontinued
0.6614	Remote Similarity	NPD1926	Approved
0.6604	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.66	Remote Similarity	NPD8149	Discontinued
0.6598	Remote Similarity	NPD1768	Approved
0.6592	Remote Similarity	NPD3986	Discontinued
0.6585	Remote Similarity	NPD5658	Approved
0.6584	Remote Similarity	NPD6823	Phase 2
0.6584	Remote Similarity	NPD2779	Approved
0.6583	Remote Similarity	NPD7948	Phase 1
0.6575	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD4305	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD3842	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD6590	Discontinued
0.6566	Remote Similarity	NPD8357	Approved
0.6564	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6558	Remote Similarity	NPD7925	Phase 2
0.6558	Remote Similarity	NPD7924	Phase 2
0.6557	Remote Similarity	NPD2920	Discontinued
0.6553	Remote Similarity	NPD7022	Phase 2
0.6552	Remote Similarity	NPD3006	Discontinued
0.6552	Remote Similarity	NPD3250	Phase 1
0.655	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.655	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.655	Remote Similarity	NPD5924	Discontinued
0.6548	Remote Similarity	NPD4429	Discontinued
0.6546	Remote Similarity	NPD8093	Discontinued
0.6545	Remote Similarity	NPD7584	Approved
0.6541	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.654	Remote Similarity	NPD2565	Phase 2
0.654	Remote Similarity	NPD2564	Approved
0.6538	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD4328	Approved
0.653	Remote Similarity	NPD8101	Phase 3
0.6527	Remote Similarity	NPD6361	Phase 2
0.6522	Remote Similarity	NPD2899	Discontinued
0.6522	Remote Similarity	NPD3258	Approved
0.6516	Remote Similarity	NPD5848	Clinical (unspecified phase)
0.6515	Remote Similarity	NPD6988	Phase 1
0.6515	Remote Similarity	NPD6790	Phase 1
0.6513	Remote Similarity	NPD6963	Approved
0.6513	Remote Similarity	NPD6964	Approved
0.6508	Remote Similarity	NPD5443	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6507	Remote Similarity	NPD7169	Suspended
0.6506	Remote Similarity	NPD5939	Approved
0.6506	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD5936	Approved
0.6504	Remote Similarity	NPD8403	Phase 1
0.6504	Remote Similarity	NPD6245	Phase 2
0.65	Remote Similarity	NPD4418	Discontinued
0.65	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6498	Remote Similarity	NPD7426	Phase 1
0.6494	Remote Similarity	NPD8442	Discontinued
0.6492	Remote Similarity	NPD8151	Discontinued
0.6491	Remote Similarity	NPD3322	Phase 1
0.6481	Remote Similarity	NPD5857	Phase 3
0.6477	Remote Similarity	NPD7885	Phase 2
0.6477	Remote Similarity	NPD7886	Phase 2
0.6468	Remote Similarity	NPD7546	Discontinued
0.6468	Remote Similarity	NPD8367	Approved
0.6463	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6461	Remote Similarity	NPD8395	Approved
0.6461	Remote Similarity	NPD8396	Approved
0.6461	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6461	Remote Similarity	NPD3825	Phase 3

Structure

NPC472589 OpenBabel07101718292D 45 51 0 0 1 0 0 0 0 0999 V2000 6.2798 3.0248 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 4.2765 4.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6074 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -0.1535 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 -2.5262 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 1.8961 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 -0.8660 1.5000 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 -3.2207 2.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 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 4.5468 0.7976 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 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 0.7930 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 0.0243 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 4.3776 2.4067 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 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 3.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0468 1.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 3.3275 0.0000 O 0 0 0 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 -4.0940 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 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 -4.6263 0.5641 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 1 6 2 0 0 0 0 2 16 1 0 0 0 0 3 34 1 0 0 0 0 4 34 1 0 0 0 0 5 44 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 18 2 0 0 0 0 10 22 2 0 0 0 0 11 16 2 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 25 2 0 0 0 0 14 20 1 0 0 0 0 14 23 2 0 0 0 0 15 21 2 0 0 0 0 15 35 1 0 0 0 0 16 30 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 26 2 0 0 0 0 20 31 2 0 0 0 0 21 27 1 0 0 0 0 22 36 1 0 0 0 0 23 32 1 0 0 0 0 23 37 1 0 0 0 0 24 28 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 41 2 0 0 0 0 30 45 1 0 0 0 0 31 34 1 0 0 0 0 31 36 1 0 0 0 0 32 38 2 0 0 0 0 32 42 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 33 43 1 0 0 0 0 35 38 1 0 0 0 0 35 45 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	70678123
ChEMBL	CHEMBL3577260
ZINC

Physicochemical Properties

Molecular Weight:	603.20
ALogP:	0.603
MLogP:	4.21
XLogP:	4.566
# Rotatable Bonds:	12
Polar Surface Area:	156.96
# H-Bond Aceptor:	6
# H-Bond Donor:	5
# Rings:	7
# Heavy Atoms:	45

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