NPASS Natural Product

Natural Product: NPC475763

Natural Product ID:	NPC475763
Common Name:	n.a.
IUPAC Name:
Synonyms:	Geissoschizoline N(4)-Oxide
Molecular Formula:	C19H26N2O2
Standard InCHIKey:	TWXSNNUYFGAFNA-IROWCEQYSA-N
Standard InCHI:	InChI=1S/C19H26N2O2/c1-2-12-10-21(23)8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3/t12-,13+,14+,17+,18+,19-,21?/m1/s1
Canonical SMILES:	CC[C@@H]1CN2(=O)CC[C@@]34[C@@H]2C[C@@H]1[C@H](CO)[C@@H]3Nc1c4cccc1
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
NPO31191	Geissospermum sericeum	Species	Apocynaceae	Eukaryota				PMID[11809075]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	1
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	IC50	>	40000	nM	19581457
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	>	40000	nM	19581457
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	>	40000	nM	1812212

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 NPC475763 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	171
0.1-0.2	1040
0.2-0.3	4538
0.3-0.4	17756
0.4-0.5	4588
0.5-0.6	2266
0.6-0.7	445
0.7-0.8	77
0.8-0.85	6
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9437	High Similarity	NPC264589
0.8725	High Similarity	NPC318086
0.8385	Intermediate Similarity	NPC475097
0.8113	Intermediate Similarity	NPC282339
0.8113	Intermediate Similarity	NPC99632
0.805	Intermediate Similarity	NPC309531
0.805	Intermediate Similarity	NPC472102
0.8	Intermediate Similarity	NPC243162
0.7987	Intermediate Similarity	NPC36495
0.7826	Intermediate Similarity	NPC248117
0.7798	Intermediate Similarity	NPC218594
0.7798	Intermediate Similarity	NPC99043
0.7792	Intermediate Similarity	NPC472103
0.7792	Intermediate Similarity	NPC311330
0.7771	Intermediate Similarity	NPC473880
0.7764	Intermediate Similarity	NPC193410
0.7738	Intermediate Similarity	NPC260075
0.7716	Intermediate Similarity	NPC225319
0.7702	Intermediate Similarity	NPC61013
0.7679	Intermediate Similarity	NPC264482
0.7679	Intermediate Similarity	NPC203202
0.7674	Intermediate Similarity	NPC52262
0.7619	Intermediate Similarity	NPC329338
0.7619	Intermediate Similarity	NPC469726
0.7613	Intermediate Similarity	NPC469537
0.7607	Intermediate Similarity	NPC477158
0.7576	Intermediate Similarity	NPC475420
0.7561	Intermediate Similarity	NPC472120
0.7561	Intermediate Similarity	NPC472101
0.7561	Intermediate Similarity	NPC472117
0.7545	Intermediate Similarity	NPC472118
0.753	Intermediate Similarity	NPC214960
0.753	Intermediate Similarity	NPC279527
0.7485	Intermediate Similarity	NPC224970
0.7485	Intermediate Similarity	NPC123241
0.7485	Intermediate Similarity	NPC167724
0.7485	Intermediate Similarity	NPC223595
0.7484	Intermediate Similarity	NPC186284
0.7484	Intermediate Similarity	NPC22082
0.747	Intermediate Similarity	NPC472106
0.7456	Intermediate Similarity	NPC473743
0.7455	Intermediate Similarity	NPC286871
0.7419	Intermediate Similarity	NPC130251
0.7414	Intermediate Similarity	NPC97584
0.7384	Intermediate Similarity	NPC6974
0.7358	Intermediate Similarity	NPC472100
0.7356	Intermediate Similarity	NPC19679
0.7353	Intermediate Similarity	NPC139085
0.7353	Intermediate Similarity	NPC214626
0.7353	Intermediate Similarity	NPC251212
0.7349	Intermediate Similarity	NPC293458
0.7349	Intermediate Similarity	NPC176983
0.7349	Intermediate Similarity	NPC85651
0.7312	Intermediate Similarity	NPC212799
0.7273	Intermediate Similarity	NPC113946
0.7267	Intermediate Similarity	NPC320147
0.7257	Intermediate Similarity	NPC159963
0.7225	Intermediate Similarity	NPC186669
0.7212	Intermediate Similarity	NPC477157
0.7212	Intermediate Similarity	NPC477156
0.7186	Intermediate Similarity	NPC68650
0.7178	Intermediate Similarity	NPC154602
0.7167	Intermediate Similarity	NPC25401
0.7159	Intermediate Similarity	NPC477159
0.7152	Intermediate Similarity	NPC301760
0.7143	Intermediate Similarity	NPC472121
0.7111	Intermediate Similarity	NPC22689
0.7111	Intermediate Similarity	NPC105055
0.711	Intermediate Similarity	NPC189812
0.711	Intermediate Similarity	NPC329688
0.7108	Intermediate Similarity	NPC469536
0.7108	Intermediate Similarity	NPC29285
0.7102	Intermediate Similarity	NPC476428
0.7095	Intermediate Similarity	NPC14994
0.7081	Intermediate Similarity	NPC116519
0.7079	Intermediate Similarity	NPC476095
0.7065	Intermediate Similarity	NPC90967
0.7065	Intermediate Similarity	NPC232130
0.7062	Intermediate Similarity	NPC256288
0.7049	Intermediate Similarity	NPC221687
0.7047	Intermediate Similarity	NPC475602
0.7022	Intermediate Similarity	NPC2933
0.7017	Intermediate Similarity	NPC95783
0.7	Intermediate Similarity	NPC285841
0.7	Intermediate Similarity	NPC181928
0.6988	Remote Similarity	NPC478076
0.6983	Remote Similarity	NPC259626
0.698	Remote Similarity	NPC475915
0.6979	Remote Similarity	NPC475422
0.6978	Remote Similarity	NPC203628
0.6977	Remote Similarity	NPC33507
0.697	Remote Similarity	NPC243756
0.697	Remote Similarity	NPC206592
0.6964	Remote Similarity	NPC469428
0.6963	Remote Similarity	NPC87755
0.6954	Remote Similarity	NPC472123
0.6954	Remote Similarity	NPC285622
0.6944	Remote Similarity	NPC473615
0.6941	Remote Similarity	NPC469741
0.6928	Remote Similarity	NPC285381
0.6923	Remote Similarity	NPC5630
0.6906	Remote Similarity	NPC229484
0.6882	Remote Similarity	NPC315368
0.6875	Remote Similarity	NPC476441
0.6872	Remote Similarity	NPC472109
0.6872	Remote Similarity	NPC472110
0.6868	Remote Similarity	NPC292675
0.6848	Remote Similarity	NPC109787
0.6836	Remote Similarity	NPC476326
0.6831	Remote Similarity	NPC473298
0.6829	Remote Similarity	NPC469735
0.6828	Remote Similarity	NPC303214
0.6828	Remote Similarity	NPC97100
0.6828	Remote Similarity	NPC473375
0.6825	Remote Similarity	NPC471512
0.6818	Remote Similarity	NPC478079
0.6789	Remote Similarity	NPC1464
0.6788	Remote Similarity	NPC469740
0.6784	Remote Similarity	NPC474058
0.6784	Remote Similarity	NPC201424
0.6782	Remote Similarity	NPC317430
0.6778	Remote Similarity	NPC472108
0.6778	Remote Similarity	NPC139291
0.6776	Remote Similarity	NPC284706
0.6774	Remote Similarity	NPC34717
0.6765	Remote Similarity	NPC222029
0.6765	Remote Similarity	NPC211525
0.6765	Remote Similarity	NPC153694
0.6761	Remote Similarity	NPC96901
0.6744	Remote Similarity	NPC16667
0.6743	Remote Similarity	NPC280548
0.6737	Remote Similarity	NPC232600
0.6726	Remote Similarity	NPC122106
0.6725	Remote Similarity	NPC148468
0.6725	Remote Similarity	NPC63210
0.6725	Remote Similarity	NPC97380
0.6725	Remote Similarity	NPC310403
0.6725	Remote Similarity	NPC263709
0.6725	Remote Similarity	NPC469461
0.6725	Remote Similarity	NPC243673
0.6719	Remote Similarity	NPC87714
0.6719	Remote Similarity	NPC475847
0.6719	Remote Similarity	NPC185742
0.671	Remote Similarity	NPC145754
0.6706	Remote Similarity	NPC285469
0.6703	Remote Similarity	NPC22476
0.6703	Remote Similarity	NPC470483
0.6702	Remote Similarity	NPC162440
0.6702	Remote Similarity	NPC229332
0.6684	Remote Similarity	NPC195787
0.6684	Remote Similarity	NPC246140
0.6667	Remote Similarity	NPC264580
0.6667	Remote Similarity	NPC259545
0.6667	Remote Similarity	NPC470508
0.6667	Remote Similarity	NPC265642
0.6667	Remote Similarity	NPC138615
0.6667	Remote Similarity	NPC471294
0.6667	Remote Similarity	NPC132874
0.6667	Remote Similarity	NPC286994
0.6667	Remote Similarity	NPC218733
0.6649	Remote Similarity	NPC474059
0.6649	Remote Similarity	NPC469732
0.6648	Remote Similarity	NPC472294
0.6648	Remote Similarity	NPC151939
0.6644	Remote Similarity	NPC313673
0.6632	Remote Similarity	NPC329833
0.6631	Remote Similarity	NPC470485
0.663	Remote Similarity	NPC317030
0.663	Remote Similarity	NPC204565
0.6629	Remote Similarity	NPC472115
0.6629	Remote Similarity	NPC472114
0.6628	Remote Similarity	NPC471122
0.6615	Remote Similarity	NPC474116
0.6615	Remote Similarity	NPC162730
0.6612	Remote Similarity	NPC307396
0.6611	Remote Similarity	NPC133261
0.6611	Remote Similarity	NPC232340
0.6609	Remote Similarity	NPC469541
0.6597	Remote Similarity	NPC67904
0.6597	Remote Similarity	NPC138830
0.6595	Remote Similarity	NPC65215
0.6595	Remote Similarity	NPC173028
0.6592	Remote Similarity	NPC24594
0.6592	Remote Similarity	NPC472122
0.6591	Remote Similarity	NPC154293
0.6591	Remote Similarity	NPC201700
0.659	Remote Similarity	NPC143457
0.6584	Remote Similarity	NPC471123
0.6583	Remote Similarity	NPC189661
0.6579	Remote Similarity	NPC100863
0.6575	Remote Similarity	NPC11149
0.6573	Remote Similarity	NPC476425
0.6571	Remote Similarity	NPC470069
0.6571	Remote Similarity	NPC52059
0.6568	Remote Similarity	NPC66936
0.6564	Remote Similarity	NPC315051
0.6561	Remote Similarity	NPC40488
0.6559	Remote Similarity	NPC469470
0.6559	Remote Similarity	NPC469501
0.6556	Remote Similarity	NPC326575

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475763 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	131
0.1-0.2	492
0.2-0.3	798
0.3-0.4	1553
0.4-0.5	3397
0.5-0.6	2473
0.6-0.7	306
0.7-0.8	11
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
0.7658	Intermediate Similarity	NPD1405	Approved
0.7516	Intermediate Similarity	NPD4120	Approved
0.7516	Intermediate Similarity	NPD4121	Phase 3
0.7469	Intermediate Similarity	NPD5743	Approved
0.7469	Intermediate Similarity	NPD5741	Approved
0.7469	Intermediate Similarity	NPD5742	Approved
0.723	Intermediate Similarity	NPD3623	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD3622	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD8402	Approved
0.703	Intermediate Similarity	NPD8401	Approved
0.703	Intermediate Similarity	NPD8400	Approved
0.6937	Remote Similarity	NPD1953	Discontinued
0.6899	Remote Similarity	NPD6102	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD3864	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD995	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7295	Approved
0.6763	Remote Similarity	NPD5744	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD2038	Approved
0.6759	Remote Similarity	NPD2039	Approved
0.6747	Remote Similarity	NPD5881	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD4116	Approved
0.6728	Remote Similarity	NPD3625	Discontinued
0.6707	Remote Similarity	NPD6506	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD2622	Approved
0.6685	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1721	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD6301	Phase 2
0.6645	Remote Similarity	NPD6900	Discontinued
0.6629	Remote Similarity	NPD6316	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD3548	Approved
0.6621	Remote Similarity	NPD7633	Discontinued
0.6606	Remote Similarity	NPD7487	Discontinued
0.6593	Remote Similarity	NPD7252	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD6320	Approved
0.6577	Remote Similarity	NPD1723	Phase 2
0.6577	Remote Similarity	NPD1720	Phase 2
0.657	Remote Similarity	NPD6694	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD6606	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD5657	Phase 3
0.6545	Remote Similarity	NPD7082	Approved
0.6531	Remote Similarity	NPD3001	Approved
0.6531	Remote Similarity	NPD2999	Approved
0.6522	Remote Similarity	NPD1071	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD4076	Approved
0.6519	Remote Similarity	NPD7479	Phase 2
0.6519	Remote Similarity	NPD4019	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD4079	Approved
0.6513	Remote Similarity	NPD1922	Discontinued
0.6506	Remote Similarity	NPD7259	Approved
0.6494	Remote Similarity	NPD5989	Phase 1
0.6484	Remote Similarity	NPD6595	Phase 3
0.6478	Remote Similarity	NPD6489	Phase 3
0.6474	Remote Similarity	NPD8630	Approved
0.6471	Remote Similarity	NPD3329	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD5060	Phase 1
0.6464	Remote Similarity	NPD3506	Approved
0.6464	Remote Similarity	NPD3505	Approved
0.6461	Remote Similarity	NPD1326	Approved
0.6461	Remote Similarity	NPD1325	Approved
0.6461	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.646	Remote Similarity	NPD5185	Approved
0.646	Remote Similarity	NPD5184	Approved
0.646	Remote Similarity	NPD5182	Approved
0.6443	Remote Similarity	NPD3149	Approved
0.6443	Remote Similarity	NPD2659	Approved
0.6443	Remote Similarity	NPD3150	Approved
0.6443	Remote Similarity	NPD3147	Approved
0.6443	Remote Similarity	NPD3148	Approved
0.6443	Remote Similarity	NPD2658	Approved
0.6443	Remote Similarity	NPD2913	Approved
0.6443	Remote Similarity	NPD2914	Approved
0.6438	Remote Similarity	NPD864	Approved
0.6438	Remote Similarity	NPD865	Approved
0.6433	Remote Similarity	NPD814	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD3824	Phase 1
0.6424	Remote Similarity	NPD6789	Approved
0.6424	Remote Similarity	NPD6069	Approved
0.6424	Remote Similarity	NPD6070	Approved
0.6405	Remote Similarity	NPD2210	Approved
0.6405	Remote Similarity	NPD2212	Approved
0.6404	Remote Similarity	NPD5021	Discontinued
0.64	Remote Similarity	NPD1813	Discontinued
0.6393	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6393	Remote Similarity	NPD6878	Phase 2
0.6393	Remote Similarity	NPD6879	Phase 2
0.6389	Remote Similarity	NPD4112	Clinical (unspecified phase)
0.6383	Remote Similarity	NPD4499	Approved
0.6379	Remote Similarity	NPD5715	Clinical (unspecified phase)
0.6376	Remote Similarity	NPD1762	Approved
0.6376	Remote Similarity	NPD1764	Approved
0.6375	Remote Similarity	NPD4275	Approved
0.6375	Remote Similarity	NPD4274	Approved
0.6375	Remote Similarity	NPD3720	Discontinued
0.6374	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6359	Remote Similarity	NPD3471	Approved
0.6359	Remote Similarity	NPD3470	Approved
0.6353	Remote Similarity	NPD5942	Approved
0.6353	Remote Similarity	NPD5941	Approved
0.6349	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.6347	Remote Similarity	NPD4430	Phase 2
0.6347	Remote Similarity	NPD5024	Approved
0.6341	Remote Similarity	NPD5318	Discontinued
0.6341	Remote Similarity	NPD4410	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD4411	Phase 1
0.634	Remote Similarity	NPD4600	Approved
0.634	Remote Similarity	NPD4601	Approved
0.6339	Remote Similarity	NPD8386	Phase 2
0.6333	Remote Similarity	NPD5181	Approved
0.6333	Remote Similarity	NPD5179	Approved
0.6333	Remote Similarity	NPD5180	Approved
0.6328	Remote Similarity	NPD3790	Phase 2
0.6325	Remote Similarity	NPD2093	Discontinued
0.6319	Remote Similarity	NPD2470	Clinical (unspecified phase)
0.6313	Remote Similarity	NPD4640	Approved
0.6313	Remote Similarity	NPD4639	Approved
0.6313	Remote Similarity	NPD4638	Approved
0.6312	Remote Similarity	NPD6359	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD2940	Approved
0.6306	Remote Similarity	NPD2938	Approved
0.6304	Remote Similarity	NPD6833	Clinical (unspecified phase)
0.6299	Remote Similarity	NPD1306	Clinical (unspecified phase)
0.6298	Remote Similarity	NPD7593	Clinical (unspecified phase)
0.6294	Remote Similarity	NPD7794	Clinical (unspecified phase)
0.6291	Remote Similarity	NPD5631	Phase 3
0.6284	Remote Similarity	NPD1108	Approved
0.6284	Remote Similarity	NPD1107	Approved
0.6282	Remote Similarity	NPD2173	Clinical (unspecified phase)
0.6276	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6275	Remote Similarity	NPD299	Phase 3
0.6273	Remote Similarity	NPD1070	Approved
0.6273	Remote Similarity	NPD1069	Approved
0.6272	Remote Similarity	NPD7785	Clinical (unspecified phase)
0.6271	Remote Similarity	NPD1684	Approved
0.6271	Remote Similarity	NPD1685	Approved
0.627	Remote Similarity	NPD7149	Clinical (unspecified phase)
0.6266	Remote Similarity	NPD2143	Discontinued
0.6263	Remote Similarity	NPD8240	Discontinued
0.6259	Remote Similarity	NPD4115	Approved
0.6259	Remote Similarity	NPD4114	Approved
0.6259	Remote Similarity	NPD5253	Approved
0.6257	Remote Similarity	NPD4682	Phase 2
0.6257	Remote Similarity	NPD6557	Phase 2
0.625	Remote Similarity	NPD2036	Approved
0.625	Remote Similarity	NPD7114	Clinical (unspecified phase)
0.625	Remote Similarity	NPD2820	Phase 3
0.6243	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD6342	Discontinued
0.6237	Remote Similarity	NPD5596	Phase 2
0.6234	Remote Similarity	NPD1668	Clinical (unspecified phase)
0.6229	Remote Similarity	NPD6026	Approved
0.6226	Remote Similarity	NPD1950	Approved
0.6226	Remote Similarity	NPD1949	Approved
0.6222	Remote Similarity	NPD3984	Clinical (unspecified phase)
0.6222	Remote Similarity	NPD2037	Approved
0.6222	Remote Similarity	NPD3983	Phase 3
0.6216	Remote Similarity	NPD4330	Approved
0.6216	Remote Similarity	NPD4329	Approved
0.6207	Remote Similarity	NPD5086	Approved
0.6207	Remote Similarity	NPD2790	Discontinued
0.6201	Remote Similarity	NPD4796	Discontinued
0.6196	Remote Similarity	NPD1595	Approved
0.6196	Remote Similarity	NPD5600	Discontinued
0.6196	Remote Similarity	NPD2144	Approved
0.6196	Remote Similarity	NPD1594	Phase 3
0.619	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.619	Remote Similarity	NPD3546	Approved
0.619	Remote Similarity	NPD8431	Approved
0.619	Remote Similarity	NPD3545	Approved
0.619	Remote Similarity	NPD2365	Approved
0.6186	Remote Similarity	NPD5195	Discontinued
0.6185	Remote Similarity	NPD4463	Approved
0.6185	Remote Similarity	NPD4462	Approved
0.6185	Remote Similarity	NPD7606	Phase 3
0.6184	Remote Similarity	NPD5629	Discontinued
0.6183	Remote Similarity	NPD3038	Discontinued
0.618	Remote Similarity	NPD1742	Approved
0.618	Remote Similarity	NPD19	Approved
0.618	Remote Similarity	NPD1743	Approved
0.6178	Remote Similarity	NPD5504	Discontinued
0.6178	Remote Similarity	NPD4775	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD8131	Suspended
0.6176	Remote Similarity	NPD5595	Clinical (unspecified phase)
0.6175	Remote Similarity	NPD5065	Approved
0.6173	Remote Similarity	NPD5782	Phase 3
0.6173	Remote Similarity	NPD1001	Discontinued
0.6171	Remote Similarity	NPD5606	Discontinued
0.6171	Remote Similarity	NPD7969	Clinical (unspecified phase)
0.6167	Remote Similarity	NPD8003	Clinical (unspecified phase)
0.6167	Remote Similarity	NPD8002	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD5136	Clinical (unspecified phase)
0.6163	Remote Similarity	NPD4703	Approved
0.6163	Remote Similarity	NPD4702	Approved
0.6161	Remote Similarity	NPD6978	Phase 2
0.6161	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD7200	Approved
0.6158	Remote Similarity	NPD7599	Phase 2
0.6154	Remote Similarity	NPD2431	Approved
0.6154	Remote Similarity	NPD2432	Approved
0.6154	Remote Similarity	NPD5727	Clinical (unspecified phase)

Structure

NPC475763 OpenBabel07101719152D 23 27 0 0 1 0 0 0 0 0999 V2000 -3.6847 -0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 1.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 2.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2946 -0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 0.6311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8187 1.6311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9667 0.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0307 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 0.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 1.6311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7726 0.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1356 1.9401 0.0000 C 0 0 1 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 -1.0867 0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -0.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 8 21 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 13 9 1 6 0 0 0 13 14 1 0 0 0 0 14 11 1 1 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 1 0 0 0 17 21 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 19 7 1 6 0 0 0 21 23 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11034384
ChEMBL	CHEMBL514892
ZINC

Physicochemical Properties

Molecular Weight:	314.20
ALogP:
MLogP:	3.11
XLogP:
# Rotatable Bonds:	4
Polar Surface Area:	49.33
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	23

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