NPASS Natural Product

Natural Product: NPC183537

Natural Product ID:	NPC183537
Common Name:	Oxocalycinine
IUPAC Name:
Synonyms:	Oxocalycinine
Molecular Formula:	C18H11NO5
Standard InCHIKey:	COUOXHXNZGNBKD-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H11NO5/c1-22-9-5-10-14(11(20)6-9)15-13-8(2-3-19-16(13)17(10)21)4-12-18(15)24-7-23-12/h2-6,20H,7H2,1H3
Canonical SMILES:	COc1cc(O)c2c(c1)C(=O)c1c3c2c2OCOc2cc3ccn1
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
NPO18509	Fissistigma oldhamii	Species	Annonaceae	Eukaryota	Stems			PMID[17081761]

Biological Activity

Activity Type	# Activity
IC50	2
Others	2

Activity Type	# Activity
Cell Line	1
Others	3

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	IC50	=	810	nM	17958396
NPT2	Others	Unspecified	Ratio CC50/IC50	=	8		PubChem BioAssay data set
NPT1076	Cell Line	B-cells	IC50	=	560	nM	19419801
NPT2	Others	Unspecified	Ratio CC50/IC50	=	5		DrugMatrix in vitro pharmacology data

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 NPC183537 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	400
0.1-0.2	1746
0.2-0.3	6090
0.3-0.4	6470
0.4-0.5	4670
0.5-0.6	9299
0.6-0.7	1893
0.7-0.8	287
0.8-0.85	14
0.85-0.9	5
0.9-0.95	7
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.982	High Similarity	NPC77878
0.9773	High Similarity	NPC124313
0.9682	High Similarity	NPC84164
0.9682	High Similarity	NPC207283
0.9636	High Similarity	NPC210296
0.955	High Similarity	NPC15406
0.95	High Similarity	NPC182907
0.95	High Similarity	NPC189903
0.9455	High Similarity	NPC108342
0.9364	High Similarity	NPC22481
0.9321	High Similarity	NPC90875
0.9318	High Similarity	NPC233334
0.9283	High Similarity	NPC166722
0.9227	High Similarity	NPC278525
0.914	High Similarity	NPC24019
0.8955	High Similarity	NPC210434
0.8621	High Similarity	NPC119134
0.8552	High Similarity	NPC146976
0.8533	High Similarity	NPC122463
0.8507	High Similarity	NPC236668
0.8382	Intermediate Similarity	NPC478045
0.8296	Intermediate Similarity	NPC251160
0.8248	Intermediate Similarity	NPC253675
0.8216	Intermediate Similarity	NPC134637
0.8206	Intermediate Similarity	NPC470020
0.8202	Intermediate Similarity	NPC174049
0.813	Intermediate Similarity	NPC118121
0.8114	Intermediate Similarity	NPC204446
0.8099	Intermediate Similarity	NPC270515
0.8091	Intermediate Similarity	NPC107123
0.8072	Intermediate Similarity	NPC132385
0.8057	Intermediate Similarity	NPC129897
0.8043	Intermediate Similarity	NPC54066
0.8035	Intermediate Similarity	NPC473822
0.7982	Intermediate Similarity	NPC235076
0.7965	Intermediate Similarity	NPC188420
0.7959	Intermediate Similarity	NPC302807
0.794	Intermediate Similarity	NPC322482
0.7883	Intermediate Similarity	NPC477019
0.7881	Intermediate Similarity	NPC246381
0.7879	Intermediate Similarity	NPC23614
0.7879	Intermediate Similarity	NPC100079
0.786	Intermediate Similarity	NPC149471
0.786	Intermediate Similarity	NPC271215
0.7845	Intermediate Similarity	NPC46451
0.7831	Intermediate Similarity	NPC318068
0.7824	Intermediate Similarity	NPC96584
0.7824	Intermediate Similarity	NPC255800
0.7817	Intermediate Similarity	NPC296482
0.7817	Intermediate Similarity	NPC53069
0.7817	Intermediate Similarity	NPC202768
0.7815	Intermediate Similarity	NPC201508
0.7803	Intermediate Similarity	NPC234197
0.7797	Intermediate Similarity	NPC470018
0.7764	Intermediate Similarity	NPC74575
0.7755	Intermediate Similarity	NPC208522
0.7753	Intermediate Similarity	NPC313189
0.7748	Intermediate Similarity	NPC224928
0.7739	Intermediate Similarity	NPC96405
0.7739	Intermediate Similarity	NPC171409
0.7705	Intermediate Similarity	NPC217554
0.7696	Intermediate Similarity	NPC220337
0.7683	Intermediate Similarity	NPC284141
0.7675	Intermediate Similarity	NPC135549
0.7675	Intermediate Similarity	NPC193238
0.7668	Intermediate Similarity	NPC191489
0.7662	Intermediate Similarity	NPC112206
0.7662	Intermediate Similarity	NPC202605
0.766	Intermediate Similarity	NPC469439
0.7647	Intermediate Similarity	NPC195268
0.7647	Intermediate Similarity	NPC133140
0.7635	Intermediate Similarity	NPC49547
0.7623	Intermediate Similarity	NPC11408
0.7613	Intermediate Similarity	NPC470017
0.76	Intermediate Similarity	NPC137353
0.7597	Intermediate Similarity	NPC55470
0.7595	Intermediate Similarity	NPC216612
0.7592	Intermediate Similarity	NPC41501
0.7582	Intermediate Similarity	NPC470022
0.7569	Intermediate Similarity	NPC282346
0.7563	Intermediate Similarity	NPC94842
0.7549	Intermediate Similarity	NPC88923
0.7549	Intermediate Similarity	NPC100734
0.7549	Intermediate Similarity	NPC315634
0.7542	Intermediate Similarity	NPC148409
0.7511	Intermediate Similarity	NPC16452
0.7511	Intermediate Similarity	NPC36229
0.7511	Intermediate Similarity	NPC476581
0.751	Intermediate Similarity	NPC476997
0.75	Intermediate Similarity	NPC146724
0.748	Intermediate Similarity	NPC13603
0.748	Intermediate Similarity	NPC1608
0.7479	Intermediate Similarity	NPC476998
0.7479	Intermediate Similarity	NPC476996
0.7479	Intermediate Similarity	NPC474594
0.7461	Intermediate Similarity	NPC473833
0.7457	Intermediate Similarity	NPC46990
0.7449	Intermediate Similarity	NPC253482
0.7445	Intermediate Similarity	NPC4071
0.7445	Intermediate Similarity	NPC476578
0.7445	Intermediate Similarity	NPC476582
0.7441	Intermediate Similarity	NPC53255
0.7441	Intermediate Similarity	NPC85879
0.7441	Intermediate Similarity	NPC326930
0.7441	Intermediate Similarity	NPC475301
0.7439	Intermediate Similarity	NPC476995
0.7438	Intermediate Similarity	NPC476994
0.7435	Intermediate Similarity	NPC164374
0.7435	Intermediate Similarity	NPC210256
0.7435	Intermediate Similarity	NPC137929
0.7432	Intermediate Similarity	NPC474009
0.743	Intermediate Similarity	NPC475648
0.7427	Intermediate Similarity	NPC473506
0.7412	Intermediate Similarity	NPC472589
0.7404	Intermediate Similarity	NPC232225
0.7403	Intermediate Similarity	NPC328928
0.7397	Intermediate Similarity	NPC475631
0.7397	Intermediate Similarity	NPC122968
0.7397	Intermediate Similarity	NPC87152
0.7397	Intermediate Similarity	NPC228377
0.7397	Intermediate Similarity	NPC475600
0.7397	Intermediate Similarity	NPC328186
0.7397	Intermediate Similarity	NPC477787
0.7397	Intermediate Similarity	NPC476110
0.7393	Intermediate Similarity	NPC89549
0.7385	Intermediate Similarity	NPC470042
0.738	Intermediate Similarity	NPC31930
0.7377	Intermediate Similarity	NPC475596
0.7377	Intermediate Similarity	NPC316841
0.7377	Intermediate Similarity	NPC475303
0.7377	Intermediate Similarity	NPC292416
0.7377	Intermediate Similarity	NPC473689
0.7371	Intermediate Similarity	NPC474595
0.7366	Intermediate Similarity	NPC101312
0.7366	Intermediate Similarity	NPC470486
0.7366	Intermediate Similarity	NPC475644
0.7366	Intermediate Similarity	NPC471977
0.7366	Intermediate Similarity	NPC473639
0.7366	Intermediate Similarity	NPC471190
0.7364	Intermediate Similarity	NPC215837
0.7358	Intermediate Similarity	NPC475406
0.7355	Intermediate Similarity	NPC200888
0.7354	Intermediate Similarity	NPC284685
0.7349	Intermediate Similarity	NPC49672
0.7347	Intermediate Similarity	NPC244839
0.7347	Intermediate Similarity	NPC319880
0.7347	Intermediate Similarity	NPC471004
0.7347	Intermediate Similarity	NPC30456
0.7347	Intermediate Similarity	NPC320324
0.7342	Intermediate Similarity	NPC240684
0.7336	Intermediate Similarity	NPC469792
0.7336	Intermediate Similarity	NPC471978
0.7333	Intermediate Similarity	NPC280964
0.7333	Intermediate Similarity	NPC141915
0.7333	Intermediate Similarity	NPC114335
0.7333	Intermediate Similarity	NPC472588
0.7328	Intermediate Similarity	NPC38959
0.7328	Intermediate Similarity	NPC327904
0.7325	Intermediate Similarity	NPC127085
0.7323	Intermediate Similarity	NPC67401
0.732	Intermediate Similarity	NPC72905
0.7318	Intermediate Similarity	NPC471979
0.7317	Intermediate Similarity	NPC237702
0.7306	Intermediate Similarity	NPC476999
0.7303	Intermediate Similarity	NPC477788
0.73	Intermediate Similarity	NPC298449
0.73	Intermediate Similarity	NPC290227
0.7296	Intermediate Similarity	NPC308943
0.7293	Intermediate Similarity	NPC280714
0.7291	Intermediate Similarity	NPC142385
0.7287	Intermediate Similarity	NPC35208
0.7287	Intermediate Similarity	NPC327769
0.7277	Intermediate Similarity	NPC290689
0.7273	Intermediate Similarity	NPC250807
0.7273	Intermediate Similarity	NPC57797
0.7273	Intermediate Similarity	NPC475315
0.7273	Intermediate Similarity	NPC324619
0.7273	Intermediate Similarity	NPC76565
0.7269	Intermediate Similarity	NPC209981
0.7265	Intermediate Similarity	NPC100573
0.7265	Intermediate Similarity	NPC207873
0.7254	Intermediate Similarity	NPC146824
0.7254	Intermediate Similarity	NPC211920
0.725	Intermediate Similarity	NPC301368
0.725	Intermediate Similarity	NPC84815
0.7249	Intermediate Similarity	NPC193906
0.7249	Intermediate Similarity	NPC23080
0.7243	Intermediate Similarity	NPC475137
0.7243	Intermediate Similarity	NPC473449
0.7243	Intermediate Similarity	NPC473850
0.7243	Intermediate Similarity	NPC328154
0.7243	Intermediate Similarity	NPC475498
0.724	Intermediate Similarity	NPC168922
0.7238	Intermediate Similarity	NPC246658
0.7236	Intermediate Similarity	NPC150698
0.7236	Intermediate Similarity	NPC289905
0.7236	Intermediate Similarity	NPC96801
0.7236	Intermediate Similarity	NPC316065
0.7233	Intermediate Similarity	NPC475533
0.7231	Intermediate Similarity	NPC127026

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC183537 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	271
0.1-0.2	684
0.2-0.3	1017
0.3-0.4	1646
0.4-0.5	2651
0.5-0.6	2097
0.6-0.7	743
0.7-0.8	52
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
0.7967	Intermediate Similarity	NPD1483	Discontinued
0.7918	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7845	Intermediate Similarity	NPD3763	Approved
0.7817	Intermediate Similarity	NPD3816	Phase 1
0.7817	Intermediate Similarity	NPD3815	Phase 1
0.7778	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7737	Intermediate Similarity	NPD7886	Phase 2
0.7737	Intermediate Similarity	NPD7885	Phase 2
0.768	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7668	Intermediate Similarity	NPD7708	Approved
0.7659	Intermediate Similarity	NPD8091	Phase 3
0.7647	Intermediate Similarity	NPD3921	Approved
0.7647	Intermediate Similarity	NPD3923	Approved
0.7647	Intermediate Similarity	NPD3924	Approved
0.7647	Intermediate Similarity	NPD3922	Approved
0.759	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7549	Intermediate Similarity	NPD7803	Approved
0.7511	Intermediate Similarity	NPD7069	Discontinued
0.749	Intermediate Similarity	NPD7417	Discontinued
0.7479	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD6494	Phase 2
0.7439	Intermediate Similarity	NPD5805	Approved
0.7407	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD7955	Approved
0.7354	Intermediate Similarity	NPD7956	Approved
0.7302	Intermediate Similarity	NPD5488	Discontinued
0.728	Intermediate Similarity	NPD6790	Phase 1
0.728	Intermediate Similarity	NPD7395	Discontinued
0.7248	Intermediate Similarity	NPD7169	Suspended
0.7247	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD5866	Approved
0.7206	Intermediate Similarity	NPD4885	Approved
0.7167	Intermediate Similarity	NPD4989	Phase 2
0.7149	Intermediate Similarity	NPD3920	Phase 2
0.7148	Intermediate Similarity	NPD5482	Discontinued
0.7121	Intermediate Similarity	NPD7673	Phase 3
0.7115	Intermediate Similarity	NPD6716	Phase 1
0.7085	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD6242	Discontinued
0.7074	Intermediate Similarity	NPD6361	Phase 2
0.7061	Intermediate Similarity	NPD6530	Approved
0.7061	Intermediate Similarity	NPD6531	Approved
0.7059	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD7654	Discontinued
0.7012	Intermediate Similarity	NPD6963	Approved
0.7012	Intermediate Similarity	NPD6964	Approved
0.7009	Intermediate Similarity	NPD3386	Phase 2
0.7004	Intermediate Similarity	NPD5429	Discontinued
0.7004	Intermediate Similarity	NPD3263	Phase 3
0.6996	Remote Similarity	NPD6568	Discontinued
0.6979	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.6965	Remote Similarity	NPD8468	Phase 2
0.696	Remote Similarity	NPD4375	Approved
0.696	Remote Similarity	NPD1505	Phase 2
0.6939	Remote Similarity	NPD8479	Phase 2
0.693	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD6727	Phase 2
0.6926	Remote Similarity	NPD3354	Phase 2
0.692	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.692	Remote Similarity	NPD8461	Discontinued
0.6914	Remote Similarity	NPD6517	Phase 3
0.6905	Remote Similarity	NPD4373	Phase 2
0.6905	Remote Similarity	NPD6723	Discontinued
0.6905	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD3925	Approved
0.6895	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD5640	Discontinued
0.6866	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD7222	Phase 2
0.6857	Remote Similarity	NPD4429	Discontinued
0.6853	Remote Similarity	NPD5022	Discontinued
0.6853	Remote Similarity	NPD4952	Phase 3
0.685	Remote Similarity	NPD3217	Phase 2
0.6849	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD4889	Approved
0.684	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.684	Remote Similarity	NPD3259	Approved
0.6838	Remote Similarity	NPD7558	Phase 2
0.6836	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD8016	Phase 3
0.6834	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD7859	Phase 2
0.6829	Remote Similarity	NPD6974	Phase 3
0.6829	Remote Similarity	NPD2899	Discontinued
0.6828	Remote Similarity	NPD5450	Discontinued
0.6825	Remote Similarity	NPD6962	Phase 2
0.6824	Remote Similarity	NPD4846	Phase 2
0.682	Remote Similarity	NPD5530	Phase 1
0.6813	Remote Similarity	NPD7555	Discontinued
0.6813	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.68	Remote Similarity	NPD7426	Phase 1
0.6796	Remote Similarity	NPD6745	Discontinued
0.6786	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD7567	Approved
0.6778	Remote Similarity	NPD4035	Approved
0.6778	Remote Similarity	NPD7925	Phase 2
0.6778	Remote Similarity	NPD7924	Phase 2
0.6778	Remote Similarity	NPD4037	Approved
0.6778	Remote Similarity	NPD4039	Approved
0.6778	Remote Similarity	NPD4034	Approved
0.6778	Remote Similarity	NPD4033	Approved
0.6778	Remote Similarity	NPD31	Approved
0.6778	Remote Similarity	NPD4122	Approved
0.6778	Remote Similarity	NPD32	Approved
0.6778	Remote Similarity	NPD4036	Approved
0.6778	Remote Similarity	NPD4038	Approved
0.6776	Remote Similarity	NPD5612	Discontinued
0.6776	Remote Similarity	NPD8149	Discontinued
0.6776	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD4923	Phase 1
0.6773	Remote Similarity	NPD4845	Discontinued
0.6773	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD7689	Approved
0.6765	Remote Similarity	NPD6975	Discontinued
0.6761	Remote Similarity	NPD5519	Discontinued
0.6756	Remote Similarity	NPD7588	Discontinued
0.6752	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD6228	Discontinued
0.6742	Remote Similarity	NPD5532	Phase 2
0.6741	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD6569	Phase 2
0.6735	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD7180	Phase 3
0.6732	Remote Similarity	NPD6825	Phase 1
0.672	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD7853	Phase 2
0.6719	Remote Similarity	NPD3006	Discontinued
0.6713	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD4551	Phase 2
0.6708	Remote Similarity	NPD5914	Approved
0.6695	Remote Similarity	NPD5006	Approved
0.6695	Remote Similarity	NPD5005	Approved
0.6694	Remote Similarity	NPD5658	Approved
0.6694	Remote Similarity	NPD3258	Approved
0.6693	Remote Similarity	NPD8067	Phase 3
0.6681	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD4418	Discontinued
0.668	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.668	Remote Similarity	NPD4502	Phase 2
0.6679	Remote Similarity	NPD3328	Phase 2
0.6679	Remote Similarity	NPD8463	Approved
0.6679	Remote Similarity	NPD6276	Discontinued
0.6667	Remote Similarity	NPD5850	Phase 3
0.6667	Remote Similarity	NPD5513	Phase 2
0.6667	Remote Similarity	NPD5459	Phase 2
0.6667	Remote Similarity	NPD6230	Discontinued
0.6667	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.6654	Remote Similarity	NPD4876	Phase 3
0.6654	Remote Similarity	NPD4875	Phase 3
0.6654	Remote Similarity	NPD5891	Approved
0.6653	Remote Similarity	NPD7279	Phase 2
0.6653	Remote Similarity	NPD7452	Approved
0.6653	Remote Similarity	NPD5512	Phase 3
0.6653	Remote Similarity	NPD6198	Phase 1
0.6653	Remote Similarity	NPD7453	Approved
0.6653	Remote Similarity	NPD7278	Phase 2
0.6652	Remote Similarity	NPD6281	Approved
0.6652	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD7922	Phase 1
0.664	Remote Similarity	NPD6298	Discontinued
0.6639	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6475	Phase 2
0.6629	Remote Similarity	NPD3809	Discontinued
0.6629	Remote Similarity	NPD8101	Phase 3
0.6629	Remote Similarity	NPD8367	Approved
0.6627	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD4859	Phase 1
0.6626	Remote Similarity	NPD6376	Discontinued
0.6617	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD2951	Discontinued
0.6615	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD8356	Approved
0.6614	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD1856	Discontinued
0.6612	Remote Similarity	NPD7010	Phase 3
0.6611	Remote Similarity	NPD6219	Discontinued
0.6609	Remote Similarity	NPD7234	Approved
0.6609	Remote Similarity	NPD7233	Approved
0.6607	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD3257	Approved
0.6598	Remote Similarity	NPD8151	Discontinued
0.6597	Remote Similarity	NPD4420	Approved
0.6592	Remote Similarity	NPD8492	Approved
0.6591	Remote Similarity	NPD4558	Phase 2
0.6586	Remote Similarity	NPD5632	Approved
0.6585	Remote Similarity	NPD7827	Phase 1
0.6584	Remote Similarity	NPD7584	Approved
0.6577	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD6625	Approved
0.6575	Remote Similarity	NPD8430	Approved

Structure

NPC183537 OpenBabel07101718322D 24 28 0 0 0 0 0 0 0 0999 V2000 -1.3523 4.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.8090 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 -2.1038 2.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.3090 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 -1.9886 0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4507 0.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 3.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 19 1 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 9 22 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 18 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 21 2 0 0 0 0 18 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL441882
ZINC

Physicochemical Properties

Molecular Weight:	321.06
ALogP:	-1.0786
MLogP:	2.78
XLogP:	1.235
# Rotatable Bonds:	3
Polar Surface Area:	77.88
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	24

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