NPASS Natural Product

Natural Product: NPC470785

Natural Product ID:	NPC470785
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C23H29N3O6
Standard InCHIKey:	IQQGHQDLZFLSGU-YZQOHXRLSA-N
Standard InCHI:	InChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16-,19-,23-/m0/s1
Canonical SMILES:	COc1ccc2c(c1)[nH]c1c2[C@H](OC)[C@]2(N([C@H]1CC(O)(C)C)C(=O)[C@H]1N(C2=O)CCC1)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
NPO10538	Aspergillus fumigatus	Species	Aspergillaceae	Eukaryota	stem bark of Melia azedarach			PMID[22409377]

Biological Activity

Activity Type	# Activity
MIC	8
Others	1

Activity Type	# Activity
Organism	9

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	MIC	=	6.25	ug/ml	15217270
NPT176	Organism	Artemia salina	Artemia salina	LC50	=	60.7	ug/ml	15730257
NPT2705	Organism	Alternaria solani	Alternaria solani	MIC	=	6.25	ug/ml	25419616
NPT2648	Organism	Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	MIC	=	25	ug/ml	17064068
NPT2600	Organism	Fusarium solani	Fusarium solani	MIC	=	25	ug/ml	1812211
NPT1203	Organism	Fusarium graminearum	Fusarium graminearum	MIC	=	6.25	ug/ml	1955884
NPT5164	Organism	Fusarium oxysporum f. sp. niveum	Fusarium oxysporum f. sp. niveum	MIC	=	12.5	ug/ml	18276144
NPT562	Organism	Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	MIC	=	6.25	ug/ml	23822611
NPT962	Organism	Alternaria alternata	Alternaria alternata	MIC	=	6.25	ug/ml	17547457

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 NPC470785 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	314
0.1-0.2	1609
0.2-0.3	9229
0.3-0.4	4466
0.4-0.5	11088
0.5-0.6	2284
0.6-0.7	1466
0.7-0.8	413
0.8-0.85	11
0.85-0.9	4
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9952	High Similarity	NPC184680
0.9811	High Similarity	NPC470784
0.9178	High Similarity	NPC474183
0.9143	High Similarity	NPC305984
0.9009	High Similarity	NPC303658
0.8832	High Similarity	NPC469594
0.8821	High Similarity	NPC469592
0.8821	High Similarity	NPC471080
0.8813	High Similarity	NPC194740
0.8394	Intermediate Similarity	NPC148183
0.8394	Intermediate Similarity	NPC152768
0.8376	Intermediate Similarity	NPC133609
0.8372	Intermediate Similarity	NPC469589
0.8341	Intermediate Similarity	NPC21638
0.8263	Intermediate Similarity	NPC189079
0.8087	Intermediate Similarity	NPC473105
0.808	Intermediate Similarity	NPC128115
0.8073	Intermediate Similarity	NPC475910
0.8016	Intermediate Similarity	NPC260909
0.8009	Intermediate Similarity	NPC264176
0.7965	Intermediate Similarity	NPC60621
0.7949	Intermediate Similarity	NPC131486
0.7931	Intermediate Similarity	NPC323198
0.7931	Intermediate Similarity	NPC323752
0.7928	Intermediate Similarity	NPC195788
0.7928	Intermediate Similarity	NPC237901
0.7913	Intermediate Similarity	NPC311906
0.7911	Intermediate Similarity	NPC473041
0.7848	Intermediate Similarity	NPC472098
0.7839	Intermediate Similarity	NPC475816
0.7835	Intermediate Similarity	NPC471762
0.7796	Intermediate Similarity	NPC284685
0.7778	Intermediate Similarity	NPC244543
0.7769	Intermediate Similarity	NPC14812
0.7768	Intermediate Similarity	NPC14288
0.7763	Intermediate Similarity	NPC472099
0.7759	Intermediate Similarity	NPC91868
0.7759	Intermediate Similarity	NPC63971
0.7752	Intermediate Similarity	NPC329747
0.7749	Intermediate Similarity	NPC319232
0.7749	Intermediate Similarity	NPC24370
0.7742	Intermediate Similarity	NPC306376
0.7727	Intermediate Similarity	NPC476098
0.7716	Intermediate Similarity	NPC304307
0.7716	Intermediate Similarity	NPC118559
0.7716	Intermediate Similarity	NPC34580
0.7716	Intermediate Similarity	NPC124920
0.7716	Intermediate Similarity	NPC261251
0.7708	Intermediate Similarity	NPC471303
0.7708	Intermediate Similarity	NPC81939
0.7705	Intermediate Similarity	NPC314882
0.7686	Intermediate Similarity	NPC323969
0.7686	Intermediate Similarity	NPC150239
0.7682	Intermediate Similarity	NPC66777
0.7682	Intermediate Similarity	NPC295898
0.7682	Intermediate Similarity	NPC100547
0.7679	Intermediate Similarity	NPC471304
0.7676	Intermediate Similarity	NPC475666
0.7672	Intermediate Similarity	NPC214142
0.7671	Intermediate Similarity	NPC152620
0.7665	Intermediate Similarity	NPC330009
0.766	Intermediate Similarity	NPC475720
0.766	Intermediate Similarity	NPC474192
0.7654	Intermediate Similarity	NPC165964
0.765	Intermediate Similarity	NPC223409
0.765	Intermediate Similarity	NPC326363
0.765	Intermediate Similarity	NPC95240
0.765	Intermediate Similarity	NPC322135
0.7647	Intermediate Similarity	NPC101350
0.7647	Intermediate Similarity	NPC82472
0.7642	Intermediate Similarity	NPC213530
0.7642	Intermediate Similarity	NPC193267
0.764	Intermediate Similarity	NPC88923
0.764	Intermediate Similarity	NPC100734
0.764	Intermediate Similarity	NPC315634
0.7639	Intermediate Similarity	NPC478078
0.7637	Intermediate Similarity	NPC473187
0.7629	Intermediate Similarity	NPC122886
0.7623	Intermediate Similarity	NPC270918
0.7619	Intermediate Similarity	NPC280272
0.7617	Intermediate Similarity	NPC260434
0.7611	Intermediate Similarity	NPC258048
0.761	Intermediate Similarity	NPC315467
0.7605	Intermediate Similarity	NPC235685
0.7602	Intermediate Similarity	NPC303374
0.7598	Intermediate Similarity	NPC96321
0.7598	Intermediate Similarity	NPC247803
0.7594	Intermediate Similarity	NPC84478
0.7593	Intermediate Similarity	NPC204970
0.7586	Intermediate Similarity	NPC122436
0.7585	Intermediate Similarity	NPC54803
0.7585	Intermediate Similarity	NPC321592
0.7579	Intermediate Similarity	NPC478009
0.7578	Intermediate Similarity	NPC277350
0.7577	Intermediate Similarity	NPC151781
0.7577	Intermediate Similarity	NPC316181
0.7577	Intermediate Similarity	NPC74562
0.7576	Intermediate Similarity	NPC198503
0.7566	Intermediate Similarity	NPC87413
0.7564	Intermediate Similarity	NPC110151
0.7564	Intermediate Similarity	NPC473185
0.7555	Intermediate Similarity	NPC312645
0.7553	Intermediate Similarity	NPC284888
0.7545	Intermediate Similarity	NPC249583
0.7533	Intermediate Similarity	NPC308137
0.7533	Intermediate Similarity	NPC310211
0.7532	Intermediate Similarity	NPC174760
0.7531	Intermediate Similarity	NPC473183
0.753	Intermediate Similarity	NPC478080
0.7522	Intermediate Similarity	NPC123976
0.7522	Intermediate Similarity	NPC167860
0.7521	Intermediate Similarity	NPC245055
0.7521	Intermediate Similarity	NPC33064
0.7521	Intermediate Similarity	NPC325976
0.7511	Intermediate Similarity	NPC329793
0.7511	Intermediate Similarity	NPC249040
0.751	Intermediate Similarity	NPC475844
0.751	Intermediate Similarity	NPC478006
0.75	Intermediate Similarity	NPC89508
0.75	Intermediate Similarity	NPC472111
0.7489	Intermediate Similarity	NPC157931
0.7489	Intermediate Similarity	NPC223427
0.748	Intermediate Similarity	NPC191489
0.7478	Intermediate Similarity	NPC169402
0.7477	Intermediate Similarity	NPC232727
0.7467	Intermediate Similarity	NPC4687
0.7458	Intermediate Similarity	NPC184225
0.7458	Intermediate Similarity	NPC314954
0.7455	Intermediate Similarity	NPC285558
0.7455	Intermediate Similarity	NPC70956
0.7455	Intermediate Similarity	NPC243834
0.7454	Intermediate Similarity	NPC196251
0.7454	Intermediate Similarity	NPC63199
0.7454	Intermediate Similarity	NPC102338
0.7454	Intermediate Similarity	NPC111602
0.7454	Intermediate Similarity	NPC175474
0.7453	Intermediate Similarity	NPC91179
0.7448	Intermediate Similarity	NPC39370
0.7448	Intermediate Similarity	NPC473184
0.7446	Intermediate Similarity	NPC264285
0.7446	Intermediate Similarity	NPC46561
0.7444	Intermediate Similarity	NPC199277
0.7444	Intermediate Similarity	NPC135887
0.7443	Intermediate Similarity	NPC57994
0.7443	Intermediate Similarity	NPC289299
0.7441	Intermediate Similarity	NPC478010
0.7437	Intermediate Similarity	NPC473186
0.7437	Intermediate Similarity	NPC469554
0.7436	Intermediate Similarity	NPC475271
0.7432	Intermediate Similarity	NPC79129
0.7432	Intermediate Similarity	NPC249150
0.7432	Intermediate Similarity	NPC49196
0.7432	Intermediate Similarity	NPC195461
0.7432	Intermediate Similarity	NPC313985
0.7432	Intermediate Similarity	NPC81654
0.7432	Intermediate Similarity	NPC478011
0.743	Intermediate Similarity	NPC53534
0.7425	Intermediate Similarity	NPC310118
0.7422	Intermediate Similarity	NPC476106
0.7419	Intermediate Similarity	NPC472112
0.7418	Intermediate Similarity	NPC78609
0.7417	Intermediate Similarity	NPC272549
0.7414	Intermediate Similarity	NPC473179
0.7414	Intermediate Similarity	NPC208084
0.7412	Intermediate Similarity	NPC146418
0.741	Intermediate Similarity	NPC89549
0.7404	Intermediate Similarity	NPC179287
0.7403	Intermediate Similarity	NPC314176
0.7401	Intermediate Similarity	NPC477160
0.7395	Intermediate Similarity	NPC475969
0.7395	Intermediate Similarity	NPC475859
0.7393	Intermediate Similarity	NPC16352
0.7391	Intermediate Similarity	NPC116238
0.7391	Intermediate Similarity	NPC478157
0.7391	Intermediate Similarity	NPC477979
0.7389	Intermediate Similarity	NPC321428
0.7388	Intermediate Similarity	NPC469734
0.7386	Intermediate Similarity	NPC6786
0.7384	Intermediate Similarity	NPC33949
0.7382	Intermediate Similarity	NPC132642
0.7381	Intermediate Similarity	NPC161861
0.738	Intermediate Similarity	NPC316981
0.7377	Intermediate Similarity	NPC188400
0.7371	Intermediate Similarity	NPC174788
0.7371	Intermediate Similarity	NPC77777
0.7366	Intermediate Similarity	NPC477066
0.7366	Intermediate Similarity	NPC475085
0.7366	Intermediate Similarity	NPC475112
0.7366	Intermediate Similarity	NPC291535
0.7362	Intermediate Similarity	NPC314056
0.7359	Intermediate Similarity	NPC469928
0.7359	Intermediate Similarity	NPC322064
0.7359	Intermediate Similarity	NPC183407
0.7357	Intermediate Similarity	NPC39679
0.7354	Intermediate Similarity	NPC214428
0.7354	Intermediate Similarity	NPC312870
0.7354	Intermediate Similarity	NPC199851
0.7354	Intermediate Similarity	NPC254240
0.7354	Intermediate Similarity	NPC128265
0.7354	Intermediate Similarity	NPC294909

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470785 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	197
0.1-0.2	577
0.2-0.3	966
0.3-0.4	1262
0.4-0.5	2464
0.5-0.6	2515
0.6-0.7	1011
0.7-0.8	165
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8527	High Similarity	NPD4885	Approved
0.817	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.8016	Intermediate Similarity	NPD8460	Approved
0.8016	Intermediate Similarity	NPD8459	Approved
0.7928	Intermediate Similarity	NPD8467	Approved
0.7928	Intermediate Similarity	NPD8466	Approved
0.7928	Intermediate Similarity	NPD8465	Approved
0.7915	Intermediate Similarity	NPD7025	Clinical (unspecified phase)
0.7909	Intermediate Similarity	NPD5658	Approved
0.79	Intermediate Similarity	NPD3003	Approved
0.7804	Intermediate Similarity	NPD8425	Approved
0.7804	Intermediate Similarity	NPD8426	Approved
0.7802	Intermediate Similarity	NPD7589	Clinical (unspecified phase)
0.7797	Intermediate Similarity	NPD7194	Discontinued
0.7796	Intermediate Similarity	NPD7955	Approved
0.7796	Intermediate Similarity	NPD7956	Approved
0.7788	Intermediate Similarity	NPD1768	Approved
0.7787	Intermediate Similarity	NPD8428	Approved
0.7787	Intermediate Similarity	NPD8429	Approved
0.7787	Intermediate Similarity	NPD8427	Approved
0.7778	Intermediate Similarity	NPD5903	Approved
0.7778	Intermediate Similarity	NPD5902	Approved
0.7764	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7749	Intermediate Similarity	NPD7426	Phase 1
0.7735	Intermediate Similarity	NPD7796	Approved
0.7735	Intermediate Similarity	NPD7797	Approved
0.7709	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7689	Intermediate Similarity	NPD8364	Approved
0.7689	Intermediate Similarity	NPD8363	Approved
0.7679	Intermediate Similarity	NPD4900	Clinical (unspecified phase)
0.7675	Intermediate Similarity	NPD5632	Approved
0.7644	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD7803	Approved
0.7628	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD4373	Phase 2
0.7621	Intermediate Similarity	NPD4897	Phase 2
0.7598	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7598	Intermediate Similarity	NPD6985	Discontinued
0.7582	Intermediate Similarity	NPD5482	Discontinued
0.7571	Intermediate Similarity	NPD8255	Phase 2
0.7553	Intermediate Similarity	NPD7558	Phase 2
0.7552	Intermediate Similarity	NPD6517	Phase 3
0.7545	Intermediate Similarity	NPD1392	Approved
0.7511	Intermediate Similarity	NPD2916	Discontinued
0.75	Intermediate Similarity	NPD4952	Phase 3
0.75	Intermediate Similarity	NPD4901	Clinical (unspecified phase)
0.749	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7489	Intermediate Similarity	NPD7470	Discontinued
0.7481	Intermediate Similarity	NPD8489	Phase 1
0.748	Intermediate Similarity	NPD7708	Approved
0.7479	Intermediate Similarity	NPD6716	Phase 1
0.7469	Intermediate Similarity	NPD8016	Phase 3
0.7469	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD5293	Phase 2
0.7459	Intermediate Similarity	NPD8359	Phase 2
0.7458	Intermediate Similarity	NPD5559	Phase 2
0.7455	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD5003	Discontinued
0.7447	Intermediate Similarity	NPD7603	Discontinued
0.7443	Intermediate Similarity	NPD4602	Approved
0.7438	Intermediate Similarity	NPD6790	Phase 1
0.7432	Intermediate Similarity	NPD4601	Approved
0.7432	Intermediate Similarity	NPD4600	Approved
0.7426	Intermediate Similarity	NPD5479	Discontinued
0.7425	Intermediate Similarity	NPD5506	Approved
0.7425	Intermediate Similarity	NPD5507	Approved
0.7419	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7395	Intermediate Similarity	NPD7284	Clinical (unspecified phase)
0.7387	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD7859	Phase 2
0.7364	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7359	Intermediate Similarity	NPD5612	Discontinued
0.7354	Intermediate Similarity	NPD4500	Approved
0.7354	Intermediate Similarity	NPD4501	Approved
0.7349	Intermediate Similarity	NPD8463	Approved
0.7328	Intermediate Similarity	NPD4558	Phase 2
0.7314	Intermediate Similarity	NPD4368	Phase 2
0.7314	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD7222	Phase 2
0.7309	Intermediate Similarity	NPD6249	Phase 2
0.7309	Intermediate Similarity	NPD6248	Phase 2
0.7296	Intermediate Similarity	NPD6568	Discontinued
0.7294	Intermediate Similarity	NPD5450	Discontinued
0.7287	Intermediate Similarity	NPD8358	Approved
0.726	Intermediate Similarity	NPD2565	Phase 2
0.726	Intermediate Similarity	NPD2564	Approved
0.7252	Intermediate Similarity	NPD7181	Phase 3
0.7252	Intermediate Similarity	NPD5512	Phase 3
0.725	Intermediate Similarity	NPD6962	Phase 2
0.7246	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD5640	Discontinued
0.7202	Intermediate Similarity	NPD7853	Phase 2
0.72	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD3259	Approved
0.7194	Intermediate Similarity	NPD8091	Phase 3
0.7186	Intermediate Similarity	NPD4502	Phase 2
0.7176	Intermediate Similarity	NPD4204	Approved
0.7176	Intermediate Similarity	NPD4203	Approved
0.7167	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7453	Approved
0.7162	Intermediate Similarity	NPD1038	Approved
0.7162	Intermediate Similarity	NPD7452	Approved
0.716	Intermediate Similarity	NPD8284	Discontinued
0.7155	Intermediate Similarity	NPD3263	Phase 3
0.7143	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7690	Clinical (unspecified phase)
0.7137	Intermediate Similarity	NPD6531	Approved
0.7137	Intermediate Similarity	NPD6530	Approved
0.7131	Intermediate Similarity	NPD3006	Discontinued
0.713	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD6376	Discontinued
0.7125	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7731	Approved
0.7125	Intermediate Similarity	NPD4328	Approved
0.7125	Intermediate Similarity	NPD7730	Approved
0.7119	Intermediate Similarity	NPD7789	Approved
0.7119	Intermediate Similarity	NPD7951	Approved
0.7119	Intermediate Similarity	NPD7790	Approved
0.7119	Intermediate Similarity	NPD7952	Approved
0.7119	Intermediate Similarity	NPD7791	Approved
0.7119	Intermediate Similarity	NPD7950	Approved
0.7119	Intermediate Similarity	NPD7953	Approved
0.7115	Intermediate Similarity	NPD8247	Approved
0.7115	Intermediate Similarity	NPD8246	Approved
0.7113	Intermediate Similarity	NPD7271	Approved
0.7112	Intermediate Similarity	NPD5066	Phase 2
0.7112	Intermediate Similarity	NPD5067	Phase 2
0.7105	Intermediate Similarity	NPD5487	Phase 1
0.7104	Intermediate Similarity	NPD7393	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6209	Approved
0.7091	Intermediate Similarity	NPD6393	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6242	Discontinued
0.7087	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD3800	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD7031	Phase 1
0.7078	Intermediate Similarity	NPD6263	Clinical (unspecified phase)
0.7074	Intermediate Similarity	NPD4795	Phase 2
0.7072	Intermediate Similarity	NPD3785	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD7824	Approved
0.7054	Intermediate Similarity	NPD7994	Phase 2
0.7048	Intermediate Similarity	NPD484	Approved
0.7046	Intermediate Similarity	NPD8279	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD5256	Discontinued
0.7043	Intermediate Similarity	NPD8403	Phase 1
0.7043	Intermediate Similarity	NPD3507	Phase 2
0.704	Intermediate Similarity	NPD6569	Phase 2
0.7037	Intermediate Similarity	NPD7688	Phase 1
0.7029	Intermediate Similarity	NPD6995	Phase 1
0.7026	Intermediate Similarity	NPD4520	Approved
0.7017	Intermediate Similarity	NPD8479	Phase 2
0.7014	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD7675	Phase 3
0.7012	Intermediate Similarity	NPD7674	Phase 3
0.7009	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4037	Approved
0.7	Intermediate Similarity	NPD4122	Approved
0.7	Intermediate Similarity	NPD4036	Approved
0.7	Intermediate Similarity	NPD7548	Discontinued
0.7	Intermediate Similarity	NPD4039	Approved
0.7	Intermediate Similarity	NPD4035	Approved
0.7	Intermediate Similarity	NPD4033	Approved
0.7	Intermediate Similarity	NPD32	Approved
0.7	Intermediate Similarity	NPD31	Approved
0.7	Intermediate Similarity	NPD4034	Approved
0.7	Intermediate Similarity	NPD4038	Approved
0.6996	Remote Similarity	NPD5913	Phase 3
0.6996	Remote Similarity	NPD5022	Discontinued
0.6996	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD6206	Phase 1
0.6984	Remote Similarity	NPD8324	Phase 2
0.6983	Remote Similarity	NPD2509	Approved
0.6983	Remote Similarity	NPD2510	Approved
0.698	Remote Similarity	NPD6494	Phase 2
0.698	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD3945	Discontinued
0.6979	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD4418	Discontinued
0.6975	Remote Similarity	NPD3258	Approved
0.6974	Remote Similarity	NPD1739	Approved
0.6974	Remote Similarity	NPD1740	Approved
0.6972	Remote Similarity	NPD5488	Discontinued
0.6971	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.697	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD8421	Discontinued
0.6966	Remote Similarity	NPD5416	Discontinued
0.696	Remote Similarity	NPD6261	Phase 3
0.6958	Remote Similarity	NPD5922	Phase 3
0.6958	Remote Similarity	NPD8356	Approved
0.6958	Remote Similarity	NPD7221	Approved
0.6958	Remote Similarity	NPD7219	Approved
0.6957	Remote Similarity	NPD2920	Discontinued
0.6951	Remote Similarity	NPD6963	Approved
0.6951	Remote Similarity	NPD2951	Discontinued
0.6951	Remote Similarity	NPD6964	Approved
0.6951	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD6449	Clinical (unspecified phase)

Structure

NPC470785 OpenBabel07101719512D 32 36 0 0 1 0 0 0 0 0999 V2000 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -0.8136 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 -3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 -2.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 -2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -0.6045 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 4.6722 -1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -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 1 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 1 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 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 1 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 -0.8660 -1.5000 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 0.0000 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6831 0.3090 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 -0.0000 0.0000 N 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 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 24 1 0 0 0 0 15 6 1 1 0 0 0 15 20 1 0 0 0 0 15 25 1 0 0 0 0 16 11 1 1 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 24 1 0 0 0 0 19 23 1 6 0 0 0 19 32 1 0 0 0 0 20 26 1 0 0 0 0 20 27 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 28 2 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 30 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	56954715
ChEMBL	CHEMBL2229116
ZINC

Physicochemical Properties

Molecular Weight:	443.21
ALogP:	-2.6668
MLogP:	3
XLogP:	0.432
# Rotatable Bonds:	10
Polar Surface Area:	115.33
# H-Bond Aceptor:	8
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	32

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