NPASS Natural Product

Natural Product: NPC50269

Natural Product ID:	NPC50269
Common Name:	Taiwaniaquinol C
IUPAC Name:	(4aS,9S,9aS)-5,8-dihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluorene-9-carbaldehyde
Synonyms:	Taiwaniaquinol C
Molecular Formula:	C21H30O4
Standard InCHIKey:	IHSCVTPHQHBWMZ-ZPDQPEGFSA-N
Standard InCHI:	InChI=1S/C21H30O4/c1-11(2)13-16(23)14-12(10-22)19-20(3,4)8-7-9-21(19,5)15(14)17(24)18(13)25-6/h10-12,19,23-24H,7-9H2,1-6H3/t12-,19+,21-/m1/s1
Canonical SMILES:	O=C[C@@H]1c2c(O)c(C(C)C)c(c(c2[C@@]2([C@@H]1C(C)(C)CCC2)C)O)OC
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
NPO24241	Taiwania cryptomerioides	Species	Cupressaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
EC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	EC50	=	8100	nM	20102168

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 NPC50269 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	294
0.1-0.2	1283
0.2-0.3	2615
0.3-0.4	5262
0.4-0.5	7953
0.5-0.6	3483
0.6-0.7	6344
0.7-0.8	3581
0.8-0.85	61
0.85-0.9	8
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9726	High Similarity	NPC218628
0.94	High Similarity	NPC48105
0.9272	High Similarity	NPC276815
0.9272	High Similarity	NPC25850
0.9211	High Similarity	NPC283301
0.8889	High Similarity	NPC273248
0.8824	High Similarity	NPC161778
0.8625	High Similarity	NPC102372
0.8562	High Similarity	NPC173587
0.8562	High Similarity	NPC208120
0.8519	High Similarity	NPC232936
0.8509	High Similarity	NPC21016
0.8509	High Similarity	NPC146584
0.8466	Intermediate Similarity	NPC213416
0.8447	Intermediate Similarity	NPC475055
0.8431	Intermediate Similarity	NPC58752
0.8387	Intermediate Similarity	NPC303989
0.8377	Intermediate Similarity	NPC470757
0.8333	Intermediate Similarity	NPC29055
0.8312	Intermediate Similarity	NPC169682
0.8261	Intermediate Similarity	NPC161947
0.8261	Intermediate Similarity	NPC155302
0.825	Intermediate Similarity	NPC179732
0.8239	Intermediate Similarity	NPC472048
0.821	Intermediate Similarity	NPC87431
0.8199	Intermediate Similarity	NPC45846
0.8165	Intermediate Similarity	NPC75377
0.8158	Intermediate Similarity	NPC475907
0.8148	Intermediate Similarity	NPC84571
0.8133	Intermediate Similarity	NPC471690
0.811	Intermediate Similarity	NPC101769
0.811	Intermediate Similarity	NPC270837
0.811	Intermediate Similarity	NPC220313
0.811	Intermediate Similarity	NPC236132
0.8107	Intermediate Similarity	NPC478050
0.8105	Intermediate Similarity	NPC470917
0.8105	Intermediate Similarity	NPC92079
0.8098	Intermediate Similarity	NPC311740
0.8098	Intermediate Similarity	NPC65746
0.8077	Intermediate Similarity	NPC191899
0.8077	Intermediate Similarity	NPC246229
0.8075	Intermediate Similarity	NPC474167
0.8075	Intermediate Similarity	NPC470762
0.8075	Intermediate Similarity	NPC197751
0.8061	Intermediate Similarity	NPC473286
0.8061	Intermediate Similarity	NPC326520
0.8061	Intermediate Similarity	NPC25361
0.805	Intermediate Similarity	NPC272566
0.8049	Intermediate Similarity	NPC215612
0.8049	Intermediate Similarity	NPC470694
0.8049	Intermediate Similarity	NPC294965
0.8047	Intermediate Similarity	NPC139350
0.8039	Intermediate Similarity	NPC19158
0.8037	Intermediate Similarity	NPC228785
0.8037	Intermediate Similarity	NPC14353
0.8037	Intermediate Similarity	NPC21046
0.8037	Intermediate Similarity	NPC56085
0.8036	Intermediate Similarity	NPC307286
0.8025	Intermediate Similarity	NPC77598
0.8025	Intermediate Similarity	NPC37543
0.8025	Intermediate Similarity	NPC199463
0.8013	Intermediate Similarity	NPC225351
0.8012	Intermediate Similarity	NPC134287
0.8012	Intermediate Similarity	NPC165460
0.8012	Intermediate Similarity	NPC130589
0.8012	Intermediate Similarity	NPC170245
0.8012	Intermediate Similarity	NPC472452
0.8	Intermediate Similarity	NPC178574
0.8	Intermediate Similarity	NPC65591
0.8	Intermediate Similarity	NPC187491
0.8	Intermediate Similarity	NPC319200
0.8	Intermediate Similarity	NPC197168
0.8	Intermediate Similarity	NPC476822
0.8	Intermediate Similarity	NPC7483
0.7988	Intermediate Similarity	NPC61010
0.7988	Intermediate Similarity	NPC32694
0.7988	Intermediate Similarity	NPC40491
0.7988	Intermediate Similarity	NPC278052
0.7988	Intermediate Similarity	NPC131905
0.7988	Intermediate Similarity	NPC66288
0.7976	Intermediate Similarity	NPC20543
0.7976	Intermediate Similarity	NPC239440
0.7976	Intermediate Similarity	NPC246716
0.7975	Intermediate Similarity	NPC10010
0.7975	Intermediate Similarity	NPC100123
0.7975	Intermediate Similarity	NPC471852
0.7964	Intermediate Similarity	NPC272485
0.7964	Intermediate Similarity	NPC45760
0.7964	Intermediate Similarity	NPC292788
0.7963	Intermediate Similarity	NPC77807
0.7963	Intermediate Similarity	NPC5379
0.7963	Intermediate Similarity	NPC213401
0.7963	Intermediate Similarity	NPC14561
0.7962	Intermediate Similarity	NPC165389
0.795	Intermediate Similarity	NPC477047
0.795	Intermediate Similarity	NPC93552
0.795	Intermediate Similarity	NPC62051
0.795	Intermediate Similarity	NPC477048
0.7949	Intermediate Similarity	NPC275278
0.7949	Intermediate Similarity	NPC309169
0.7949	Intermediate Similarity	NPC196941
0.7949	Intermediate Similarity	NPC474982
0.7937	Intermediate Similarity	NPC78505
0.7937	Intermediate Similarity	NPC124842
0.7927	Intermediate Similarity	NPC474287
0.7927	Intermediate Similarity	NPC80375
0.7927	Intermediate Similarity	NPC320359
0.7927	Intermediate Similarity	NPC235018
0.7927	Intermediate Similarity	NPC45146
0.7927	Intermediate Similarity	NPC475886
0.7927	Intermediate Similarity	NPC119224
0.7925	Intermediate Similarity	NPC142654
0.7919	Intermediate Similarity	NPC228209
0.7917	Intermediate Similarity	NPC26568
0.7914	Intermediate Similarity	NPC469584
0.7914	Intermediate Similarity	NPC178976
0.7914	Intermediate Similarity	NPC78103
0.7914	Intermediate Similarity	NPC300727
0.7914	Intermediate Similarity	NPC241904
0.7914	Intermediate Similarity	NPC165977
0.7914	Intermediate Similarity	NPC217677
0.7914	Intermediate Similarity	NPC302258
0.7911	Intermediate Similarity	NPC261502
0.7911	Intermediate Similarity	NPC251188
0.7911	Intermediate Similarity	NPC127046
0.7911	Intermediate Similarity	NPC52692
0.7907	Intermediate Similarity	NPC113446
0.7904	Intermediate Similarity	NPC43065
0.7904	Intermediate Similarity	NPC37870
0.7901	Intermediate Similarity	NPC16286
0.7901	Intermediate Similarity	NPC180901
0.7901	Intermediate Similarity	NPC300757
0.7901	Intermediate Similarity	NPC39184
0.7898	Intermediate Similarity	NPC84786
0.7898	Intermediate Similarity	NPC157133
0.7898	Intermediate Similarity	NPC474799
0.7895	Intermediate Similarity	NPC196771
0.7892	Intermediate Similarity	NPC248638
0.7892	Intermediate Similarity	NPC475985
0.7892	Intermediate Similarity	NPC473313
0.7892	Intermediate Similarity	NPC18100
0.7892	Intermediate Similarity	NPC152659
0.7892	Intermediate Similarity	NPC205265
0.7892	Intermediate Similarity	NPC472281
0.7892	Intermediate Similarity	NPC156082
0.7892	Intermediate Similarity	NPC472278
0.7892	Intermediate Similarity	NPC236521
0.7892	Intermediate Similarity	NPC329669
0.7888	Intermediate Similarity	NPC131121
0.7886	Intermediate Similarity	NPC240808
0.7885	Intermediate Similarity	NPC16353
0.7882	Intermediate Similarity	NPC181523
0.7882	Intermediate Similarity	NPC470942
0.7879	Intermediate Similarity	NPC472275
0.7879	Intermediate Similarity	NPC474351
0.7879	Intermediate Similarity	NPC266314
0.7879	Intermediate Similarity	NPC474187
0.7879	Intermediate Similarity	NPC475883
0.7879	Intermediate Similarity	NPC474186
0.7875	Intermediate Similarity	NPC472279
0.7875	Intermediate Similarity	NPC225854
0.7871	Intermediate Similarity	NPC472335
0.7871	Intermediate Similarity	NPC472332
0.7871	Intermediate Similarity	NPC175838
0.787	Intermediate Similarity	NPC124470
0.787	Intermediate Similarity	NPC472276
0.787	Intermediate Similarity	NPC17219
0.787	Intermediate Similarity	NPC109827
0.787	Intermediate Similarity	NPC1827
0.787	Intermediate Similarity	NPC10576
0.7866	Intermediate Similarity	NPC250214
0.7866	Intermediate Similarity	NPC245891
0.7866	Intermediate Similarity	NPC104876
0.7866	Intermediate Similarity	NPC315157
0.7866	Intermediate Similarity	NPC235448
0.7866	Intermediate Similarity	NPC476242
0.7866	Intermediate Similarity	NPC95936
0.7866	Intermediate Similarity	NPC85121
0.7862	Intermediate Similarity	NPC15329
0.7862	Intermediate Similarity	NPC131451
0.7862	Intermediate Similarity	NPC470359
0.7857	Intermediate Similarity	NPC117854
0.7857	Intermediate Similarity	NPC6588
0.7857	Intermediate Similarity	NPC126204
0.7857	Intermediate Similarity	NPC477154
0.7853	Intermediate Similarity	NPC274730
0.7853	Intermediate Similarity	NPC142339
0.7853	Intermediate Similarity	NPC150227
0.7853	Intermediate Similarity	NPC469474
0.7849	Intermediate Similarity	NPC77179
0.7849	Intermediate Similarity	NPC23553
0.7848	Intermediate Similarity	NPC30720
0.7848	Intermediate Similarity	NPC474991
0.7848	Intermediate Similarity	NPC476535
0.7844	Intermediate Similarity	NPC472277
0.7844	Intermediate Similarity	NPC239752
0.7844	Intermediate Similarity	NPC112981
0.7844	Intermediate Similarity	NPC327652
0.7844	Intermediate Similarity	NPC26386
0.7844	Intermediate Similarity	NPC275780

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC50269 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	313
0.1-0.2	1005
0.2-0.3	2139
0.3-0.4	2665
0.4-0.5	1782
0.5-0.6	868
0.6-0.7	342
0.7-0.8	47
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
0.7785	Intermediate Similarity	NPD2532	Approved
0.7785	Intermediate Similarity	NPD2534	Approved
0.7785	Intermediate Similarity	NPD2533	Approved
0.7758	Intermediate Similarity	NPD6234	Discontinued
0.7725	Intermediate Similarity	NPD6232	Discontinued
0.7692	Intermediate Similarity	NPD7473	Discontinued
0.7669	Intermediate Similarity	NPD37	Approved
0.7622	Intermediate Similarity	NPD2801	Approved
0.7602	Intermediate Similarity	NPD5844	Phase 1
0.756	Intermediate Similarity	NPD7199	Phase 2
0.753	Intermediate Similarity	NPD4967	Phase 2
0.753	Intermediate Similarity	NPD4966	Approved
0.753	Intermediate Similarity	NPD4965	Approved
0.7515	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD1934	Approved
0.7442	Intermediate Similarity	NPD7228	Approved
0.7425	Intermediate Similarity	NPD3882	Suspended
0.7419	Intermediate Similarity	NPD6651	Approved
0.7396	Intermediate Similarity	NPD5494	Approved
0.7389	Intermediate Similarity	NPD6099	Approved
0.7389	Intermediate Similarity	NPD6100	Approved
0.7358	Intermediate Similarity	NPD2800	Approved
0.7321	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD3027	Phase 3
0.7305	Intermediate Similarity	NPD1465	Phase 2
0.729	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD3620	Phase 2
0.7273	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD5710	Approved
0.7209	Intermediate Similarity	NPD5711	Approved
0.7207	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD6959	Discontinued
0.7143	Intermediate Similarity	NPD3818	Discontinued
0.7134	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6166	Phase 2
0.7081	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD1511	Approved
0.7052	Intermediate Similarity	NPD1247	Approved
0.7051	Intermediate Similarity	NPD7985	Registered
0.7037	Intermediate Similarity	NPD6674	Discontinued
0.703	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD230	Phase 1
0.7024	Intermediate Similarity	NPD4380	Phase 2
0.7013	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD1512	Approved
0.6983	Remote Similarity	NPD7240	Approved
0.6968	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD9494	Approved
0.6966	Remote Similarity	NPD7074	Phase 3
0.6962	Remote Similarity	NPD1613	Approved
0.6962	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD3817	Phase 2
0.6954	Remote Similarity	NPD8127	Discontinued
0.6944	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6599	Discontinued
0.6923	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7229	Phase 3
0.691	Remote Similarity	NPD7054	Approved
0.6901	Remote Similarity	NPD7819	Suspended
0.689	Remote Similarity	NPD4110	Phase 3
0.689	Remote Similarity	NPD4628	Phase 3
0.689	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD6559	Discontinued
0.6883	Remote Similarity	NPD6696	Suspended
0.6875	Remote Similarity	NPD1607	Approved
0.6872	Remote Similarity	NPD7472	Approved
0.6852	Remote Similarity	NPD2935	Discontinued
0.6846	Remote Similarity	NPD7340	Approved
0.6835	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD7028	Phase 2
0.6796	Remote Similarity	NPD7685	Pre-registration
0.679	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.679	Remote Similarity	NPD1510	Phase 2
0.6782	Remote Similarity	NPD7075	Discontinued
0.6774	Remote Similarity	NPD1283	Approved
0.6772	Remote Similarity	NPD4625	Phase 3
0.6766	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD1398	Phase 1
0.6752	Remote Similarity	NPD2861	Phase 2
0.675	Remote Similarity	NPD1240	Approved
0.675	Remote Similarity	NPD943	Approved
0.675	Remote Similarity	NPD4060	Phase 1
0.6746	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD919	Approved
0.674	Remote Similarity	NPD6797	Phase 2
0.6738	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.673	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD2494	Approved
0.6719	Remote Similarity	NPD2493	Approved
0.6707	Remote Similarity	NPD5762	Approved
0.6707	Remote Similarity	NPD5763	Approved
0.6705	Remote Similarity	NPD5761	Phase 2
0.6705	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD5760	Phase 2
0.6703	Remote Similarity	NPD7251	Discontinued
0.6703	Remote Similarity	NPD8434	Phase 2
0.6702	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD4582	Approved
0.6701	Remote Similarity	NPD4583	Approved
0.6687	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7458	Discontinued
0.6667	Remote Similarity	NPD7390	Discontinued
0.6667	Remote Similarity	NPD2932	Approved
0.6667	Remote Similarity	NPD3019	Approved
0.6667	Remote Similarity	NPD7808	Phase 3
0.6649	Remote Similarity	NPD4004	Approved
0.6649	Remote Similarity	NPD4002	Approved
0.6647	Remote Similarity	NPD6801	Discontinued
0.6647	Remote Similarity	NPD6190	Approved
0.6646	Remote Similarity	NPD2979	Phase 3
0.6646	Remote Similarity	NPD2438	Suspended
0.6632	Remote Similarity	NPD3450	Approved
0.6632	Remote Similarity	NPD3452	Approved
0.6629	Remote Similarity	NPD3787	Discontinued
0.6627	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD1653	Approved
0.6606	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6004	Phase 3
0.6606	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6002	Phase 3
0.6606	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6005	Phase 3
0.6606	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD6355	Discontinued
0.6605	Remote Similarity	NPD3657	Discovery
0.6604	Remote Similarity	NPD4908	Phase 1
0.6603	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD4749	Approved
0.6601	Remote Similarity	NPD1651	Approved
0.6596	Remote Similarity	NPD2488	Approved
0.6596	Remote Similarity	NPD2490	Approved
0.6592	Remote Similarity	NPD3926	Phase 2
0.6591	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD8166	Discontinued
0.6587	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD3750	Approved
0.6587	Remote Similarity	NPD7003	Approved
0.6581	Remote Similarity	NPD1281	Approved
0.6568	Remote Similarity	NPD6799	Approved
0.6566	Remote Similarity	NPD1549	Phase 2
0.6564	Remote Similarity	NPD4097	Suspended
0.6564	Remote Similarity	NPD7680	Approved
0.6554	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.655	Remote Similarity	NPD920	Approved
0.6545	Remote Similarity	NPD1551	Phase 2
0.6541	Remote Similarity	NPD3018	Phase 2
0.6541	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD3094	Phase 2
0.651	Remote Similarity	NPD2974	Approved
0.651	Remote Similarity	NPD2975	Approved
0.651	Remote Similarity	NPD2973	Approved
0.6503	Remote Similarity	NPD5735	Approved
0.65	Remote Similarity	NPD5242	Approved
0.6497	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD6780	Approved
0.6495	Remote Similarity	NPD6782	Approved
0.6495	Remote Similarity	NPD6778	Approved
0.6495	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD6779	Approved
0.6495	Remote Similarity	NPD6781	Approved
0.6495	Remote Similarity	NPD6776	Approved
0.6495	Remote Similarity	NPD6777	Approved
0.6495	Remote Similarity	NPD4580	Approved
0.6494	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD7411	Suspended
0.6491	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD6273	Approved
0.6484	Remote Similarity	NPD3751	Discontinued
0.6481	Remote Similarity	NPD6663	Approved
0.6481	Remote Similarity	NPD8032	Phase 2
0.6478	Remote Similarity	NPD4624	Approved
0.6477	Remote Similarity	NPD5353	Approved
0.6477	Remote Similarity	NPD5402	Approved
0.6474	Remote Similarity	NPD3705	Approved
0.6474	Remote Similarity	NPD3226	Approved
0.6474	Remote Similarity	NPD1610	Phase 2
0.6471	Remote Similarity	NPD4357	Discontinued
0.6471	Remote Similarity	NPD7644	Approved
0.6452	Remote Similarity	NPD4626	Approved
0.6446	Remote Similarity	NPD2796	Approved
0.6442	Remote Similarity	NPD4140	Approved
0.6441	Remote Similarity	NPD7768	Phase 2
0.6439	Remote Similarity	NPD4665	Approved
0.6439	Remote Similarity	NPD4111	Phase 1
0.6438	Remote Similarity	NPD5736	Approved
0.6436	Remote Similarity	NPD8150	Discontinued
0.6433	Remote Similarity	NPD1608	Approved
0.6433	Remote Similarity	NPD9269	Phase 2

Structure

CID50269 OpenBabel06191715382D 25 27 0 0 1 0 0 0 0 0999 V2000 -4.0807 2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 2.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6729 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.4492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3457 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 0.9662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8370 1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4822 3.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 2.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 -1.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -0.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 2 0 0 0 0 11 13 1 0 0 0 0 12 10 1 1 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 1 0 0 0 21 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	46880977
ChEMBL	CHEMBL1088041
ZINC

Physicochemical Properties

Molecular Weight:	346.21
ALogP:	0.2851
MLogP:	3.33
XLogP:	4.857
# Rotatable Bonds:	11
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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