NPASS Natural Product

Natural Product: NPC218628

Natural Product ID:	NPC218628
Common Name:	Taiwaniaquinol D
IUPAC Name:	(4aS)-5,8-dihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-fluorene-9-carbaldehyde
Synonyms:	Taiwaniaquinol D
Molecular Formula:	C21H28O4
Standard InCHIKey:	JILXWJZSXVLMCM-OAQYLSRUSA-N
Standard InCHI:	InChI=1S/C21H28O4/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/h10-11,23-24H,7-9H2,1-6H3/t21-/m1/s1
Canonical SMILES:	O=CC1=C2C(C)(C)CCC[C@@]2(c2c1c(O)c(C(C)C)c(c2O)OC)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
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	=	3500	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 NPC218628 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	300
0.1-0.2	1282
0.2-0.3	2579
0.3-0.4	5296
0.4-0.5	7790
0.5-0.6	3445
0.6-0.7	5980
0.7-0.8	4069
0.8-0.85	132
0.85-0.9	10
0.9-0.95	5
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9726	High Similarity	NPC50269
0.9276	High Similarity	NPC276815
0.9276	High Similarity	NPC25850
0.9216	High Similarity	NPC283301
0.915	High Similarity	NPC48105
0.902	High Similarity	NPC273248
0.8954	High Similarity	NPC161778
0.875	High Similarity	NPC102372
0.8688	High Similarity	NPC208120
0.8688	High Similarity	NPC173587
0.8642	High Similarity	NPC232936
0.8634	High Similarity	NPC146584
0.8634	High Similarity	NPC21016
0.8589	High Similarity	NPC213416
0.8571	High Similarity	NPC475055
0.8516	High Similarity	NPC303989
0.8457	Intermediate Similarity	NPC29055
0.8385	Intermediate Similarity	NPC155302
0.8385	Intermediate Similarity	NPC161947
0.8375	Intermediate Similarity	NPC179732
0.8365	Intermediate Similarity	NPC472048
0.8333	Intermediate Similarity	NPC87431
0.8323	Intermediate Similarity	NPC58752
0.8323	Intermediate Similarity	NPC45846
0.8291	Intermediate Similarity	NPC75377
0.8272	Intermediate Similarity	NPC84571
0.8269	Intermediate Similarity	NPC470757
0.8267	Intermediate Similarity	NPC471690
0.8258	Intermediate Similarity	NPC225351
0.8235	Intermediate Similarity	NPC92079
0.8232	Intermediate Similarity	NPC101769
0.8232	Intermediate Similarity	NPC220313
0.8232	Intermediate Similarity	NPC270837
0.8232	Intermediate Similarity	NPC236132
0.8225	Intermediate Similarity	NPC478050
0.8221	Intermediate Similarity	NPC65746
0.8221	Intermediate Similarity	NPC311740
0.8205	Intermediate Similarity	NPC169682
0.8199	Intermediate Similarity	NPC470762
0.8199	Intermediate Similarity	NPC197751
0.8199	Intermediate Similarity	NPC474167
0.8182	Intermediate Similarity	NPC25361
0.8182	Intermediate Similarity	NPC326520
0.8182	Intermediate Similarity	NPC473286
0.8176	Intermediate Similarity	NPC272566
0.8171	Intermediate Similarity	NPC470694
0.8171	Intermediate Similarity	NPC294965
0.8171	Intermediate Similarity	NPC215612
0.8166	Intermediate Similarity	NPC139350
0.816	Intermediate Similarity	NPC228785
0.816	Intermediate Similarity	NPC14353
0.816	Intermediate Similarity	NPC56085
0.816	Intermediate Similarity	NPC21046
0.8155	Intermediate Similarity	NPC307286
0.8153	Intermediate Similarity	NPC77598
0.8148	Intermediate Similarity	NPC37543
0.8148	Intermediate Similarity	NPC199463
0.8137	Intermediate Similarity	NPC134287
0.8137	Intermediate Similarity	NPC130589
0.8133	Intermediate Similarity	NPC170245
0.8133	Intermediate Similarity	NPC472452
0.8121	Intermediate Similarity	NPC197168
0.8121	Intermediate Similarity	NPC7483
0.8121	Intermediate Similarity	NPC476822
0.811	Intermediate Similarity	NPC32694
0.811	Intermediate Similarity	NPC40491
0.811	Intermediate Similarity	NPC66288
0.811	Intermediate Similarity	NPC61010
0.811	Intermediate Similarity	NPC278052
0.8101	Intermediate Similarity	NPC10010
0.8098	Intermediate Similarity	NPC100123
0.8095	Intermediate Similarity	NPC20543
0.8095	Intermediate Similarity	NPC239440
0.8095	Intermediate Similarity	NPC246716
0.8089	Intermediate Similarity	NPC165389
0.8086	Intermediate Similarity	NPC5379
0.8086	Intermediate Similarity	NPC77807
0.8086	Intermediate Similarity	NPC14561
0.8084	Intermediate Similarity	NPC45760
0.8084	Intermediate Similarity	NPC292788
0.8084	Intermediate Similarity	NPC272485
0.8077	Intermediate Similarity	NPC309169
0.8077	Intermediate Similarity	NPC196941
0.8077	Intermediate Similarity	NPC275278
0.8075	Intermediate Similarity	NPC477047
0.8075	Intermediate Similarity	NPC477048
0.8075	Intermediate Similarity	NPC93552
0.8075	Intermediate Similarity	NPC62051
0.8063	Intermediate Similarity	NPC124842
0.8063	Intermediate Similarity	NPC78505
0.8052	Intermediate Similarity	NPC475907
0.8049	Intermediate Similarity	NPC474287
0.8049	Intermediate Similarity	NPC235018
0.8049	Intermediate Similarity	NPC80375
0.8049	Intermediate Similarity	NPC320359
0.8049	Intermediate Similarity	NPC119224
0.8049	Intermediate Similarity	NPC475886
0.8049	Intermediate Similarity	NPC45146
0.8038	Intermediate Similarity	NPC251188
0.8038	Intermediate Similarity	NPC261502
0.8038	Intermediate Similarity	NPC52692
0.8037	Intermediate Similarity	NPC469584
0.8037	Intermediate Similarity	NPC178976
0.8037	Intermediate Similarity	NPC217677
0.8037	Intermediate Similarity	NPC300727
0.8037	Intermediate Similarity	NPC165977
0.8037	Intermediate Similarity	NPC78103
0.8037	Intermediate Similarity	NPC241904
0.8037	Intermediate Similarity	NPC302258
0.8036	Intermediate Similarity	NPC26568
0.8035	Intermediate Similarity	NPC228209
0.8025	Intermediate Similarity	NPC180901
0.8025	Intermediate Similarity	NPC16286
0.8025	Intermediate Similarity	NPC157133
0.8025	Intermediate Similarity	NPC300757
0.8025	Intermediate Similarity	NPC39184
0.8024	Intermediate Similarity	NPC43065
0.8024	Intermediate Similarity	NPC37870
0.8024	Intermediate Similarity	NPC165460
0.8023	Intermediate Similarity	NPC113446
0.8013	Intermediate Similarity	NPC16353
0.8012	Intermediate Similarity	NPC196771
0.8012	Intermediate Similarity	NPC248638
0.8012	Intermediate Similarity	NPC319200
0.8012	Intermediate Similarity	NPC236521
0.8012	Intermediate Similarity	NPC187491
0.8012	Intermediate Similarity	NPC156082
0.8012	Intermediate Similarity	NPC472278
0.8012	Intermediate Similarity	NPC472281
0.8012	Intermediate Similarity	NPC18100
0.8012	Intermediate Similarity	NPC152659
0.8012	Intermediate Similarity	NPC329669
0.8012	Intermediate Similarity	NPC475985
0.8012	Intermediate Similarity	NPC205265
0.8012	Intermediate Similarity	NPC131121
0.8012	Intermediate Similarity	NPC473313
0.8	Intermediate Similarity	NPC474351
0.8	Intermediate Similarity	NPC472275
0.8	Intermediate Similarity	NPC474187
0.8	Intermediate Similarity	NPC475883
0.8	Intermediate Similarity	NPC240808
0.8	Intermediate Similarity	NPC225854
0.8	Intermediate Similarity	NPC181523
0.8	Intermediate Similarity	NPC470942
0.8	Intermediate Similarity	NPC472279
0.8	Intermediate Similarity	NPC266314
0.8	Intermediate Similarity	NPC474186
0.8	Intermediate Similarity	NPC131905
0.7988	Intermediate Similarity	NPC245891
0.7988	Intermediate Similarity	NPC1827
0.7988	Intermediate Similarity	NPC250214
0.7988	Intermediate Similarity	NPC109827
0.7988	Intermediate Similarity	NPC104876
0.7988	Intermediate Similarity	NPC476242
0.7988	Intermediate Similarity	NPC235448
0.7988	Intermediate Similarity	NPC17219
0.7988	Intermediate Similarity	NPC124470
0.7988	Intermediate Similarity	NPC85121
0.7988	Intermediate Similarity	NPC315157
0.7988	Intermediate Similarity	NPC10576
0.7988	Intermediate Similarity	NPC95936
0.7988	Intermediate Similarity	NPC472276
0.7987	Intermediate Similarity	NPC15329
0.7987	Intermediate Similarity	NPC131451
0.7987	Intermediate Similarity	NPC470359
0.7976	Intermediate Similarity	NPC126204
0.7976	Intermediate Similarity	NPC477154
0.7976	Intermediate Similarity	NPC6588
0.7976	Intermediate Similarity	NPC117854
0.7975	Intermediate Similarity	NPC150227
0.7975	Intermediate Similarity	NPC191899
0.7975	Intermediate Similarity	NPC213401
0.7975	Intermediate Similarity	NPC476535
0.7975	Intermediate Similarity	NPC246229
0.7975	Intermediate Similarity	NPC274730
0.7975	Intermediate Similarity	NPC30720
0.7975	Intermediate Similarity	NPC469474
0.7975	Intermediate Similarity	NPC142339
0.7965	Intermediate Similarity	NPC23553
0.7965	Intermediate Similarity	NPC77179
0.7964	Intermediate Similarity	NPC112981
0.7964	Intermediate Similarity	NPC26386
0.7964	Intermediate Similarity	NPC275780
0.7964	Intermediate Similarity	NPC472450
0.7964	Intermediate Similarity	NPC472277
0.7964	Intermediate Similarity	NPC239752
0.7964	Intermediate Similarity	NPC327652
0.7963	Intermediate Similarity	NPC250557
0.7963	Intermediate Similarity	NPC107109
0.7963	Intermediate Similarity	NPC124714
0.7963	Intermediate Similarity	NPC77430
0.7962	Intermediate Similarity	NPC105213
0.7962	Intermediate Similarity	NPC207732
0.7953	Intermediate Similarity	NPC289147
0.7952	Intermediate Similarity	NPC81679
0.7952	Intermediate Similarity	NPC25152
0.7952	Intermediate Similarity	NPC144843
0.795	Intermediate Similarity	NPC19980
0.795	Intermediate Similarity	NPC115869
0.795	Intermediate Similarity	NPC477672

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC218628 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	322
0.1-0.2	1008
0.2-0.3	2139
0.3-0.4	2653
0.4-0.5	1794
0.5-0.6	846
0.6-0.7	342
0.7-0.8	57
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
0.7911	Intermediate Similarity	NPD2533	Approved
0.7911	Intermediate Similarity	NPD2534	Approved
0.7911	Intermediate Similarity	NPD2532	Approved
0.7844	Intermediate Similarity	NPD6232	Discontinued
0.7811	Intermediate Similarity	NPD7473	Discontinued
0.7744	Intermediate Similarity	NPD2801	Approved
0.7719	Intermediate Similarity	NPD5844	Phase 1
0.7665	Intermediate Similarity	NPD6234	Discontinued
0.7636	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD37	Approved
0.7576	Intermediate Similarity	NPD1934	Approved
0.7548	Intermediate Similarity	NPD6651	Approved
0.7545	Intermediate Similarity	NPD3882	Suspended
0.7515	Intermediate Similarity	NPD5494	Approved
0.7484	Intermediate Similarity	NPD2800	Approved
0.744	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD4965	Approved
0.744	Intermediate Similarity	NPD4966	Approved
0.744	Intermediate Similarity	NPD4967	Phase 2
0.7425	Intermediate Similarity	NPD1465	Phase 2
0.7416	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD7199	Phase 2
0.7356	Intermediate Similarity	NPD7228	Approved
0.7326	Intermediate Similarity	NPD5711	Approved
0.7326	Intermediate Similarity	NPD5710	Approved
0.7296	Intermediate Similarity	NPD6100	Approved
0.7296	Intermediate Similarity	NPD6099	Approved
0.7283	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6959	Discontinued
0.7257	Intermediate Similarity	NPD3818	Discontinued
0.7256	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD6166	Phase 2
0.7241	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD3027	Phase 3
0.7205	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD1511	Approved
0.7179	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD1247	Approved
0.7152	Intermediate Similarity	NPD230	Phase 1
0.7143	Intermediate Similarity	NPD4380	Phase 2
0.7117	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD1512	Approved
0.7104	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD9494	Approved
0.7089	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD3620	Phase 2
0.7079	Intermediate Similarity	NPD7074	Phase 3
0.7076	Intermediate Similarity	NPD3817	Phase 2
0.7056	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD6599	Discontinued
0.7022	Intermediate Similarity	NPD7054	Approved
0.7018	Intermediate Similarity	NPD7819	Suspended
0.7012	Intermediate Similarity	NPD4628	Phase 3
0.7	Intermediate Similarity	NPD6559	Discontinued
0.7	Intermediate Similarity	NPD1607	Approved
0.6983	Remote Similarity	NPD7472	Approved
0.6975	Remote Similarity	NPD2935	Discontinued
0.6971	Remote Similarity	NPD8127	Discontinued
0.6962	Remote Similarity	NPD7985	Registered
0.6951	Remote Similarity	NPD6674	Discontinued
0.6944	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1510	Phase 2
0.6906	Remote Similarity	NPD7240	Approved
0.6897	Remote Similarity	NPD7075	Discontinued
0.6886	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1240	Approved
0.6875	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD943	Approved
0.6875	Remote Similarity	NPD1613	Approved
0.6864	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD919	Approved
0.6851	Remote Similarity	NPD6797	Phase 2
0.6845	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7028	Phase 2
0.6836	Remote Similarity	NPD7229	Phase 3
0.6835	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD7251	Discontinued
0.6813	Remote Similarity	NPD7685	Pre-registration
0.6811	Remote Similarity	NPD8434	Phase 2
0.681	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD6696	Suspended
0.6786	Remote Similarity	NPD7390	Discontinued
0.6784	Remote Similarity	NPD7458	Discontinued
0.6776	Remote Similarity	NPD7808	Phase 3
0.6766	Remote Similarity	NPD6190	Approved
0.6763	Remote Similarity	NPD6801	Discontinued
0.6755	Remote Similarity	NPD7340	Approved
0.675	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.675	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD1653	Approved
0.6724	Remote Similarity	NPD5760	Phase 2
0.6724	Remote Similarity	NPD5761	Phase 2
0.6707	Remote Similarity	NPD7003	Approved
0.6707	Remote Similarity	NPD3750	Approved
0.6707	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD4110	Phase 3
0.6707	Remote Similarity	NPD8166	Discontinued
0.6705	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6704	Remote Similarity	NPD3926	Phase 2
0.6688	Remote Similarity	NPD1283	Approved
0.6687	Remote Similarity	NPD4625	Phase 3
0.6687	Remote Similarity	NPD1549	Phase 2
0.6686	Remote Similarity	NPD6799	Approved
0.6667	Remote Similarity	NPD4060	Phase 1
0.6667	Remote Similarity	NPD920	Approved
0.6667	Remote Similarity	NPD1398	Phase 1
0.6667	Remote Similarity	NPD1551	Phase 2
0.6649	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD2493	Approved
0.6649	Remote Similarity	NPD2494	Approved
0.6648	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD4583	Approved
0.6633	Remote Similarity	NPD4582	Approved
0.6632	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6611	Remote Similarity	NPD5242	Approved
0.6609	Remote Similarity	NPD7411	Suspended
0.6598	Remote Similarity	NPD6782	Approved
0.6598	Remote Similarity	NPD6777	Approved
0.6598	Remote Similarity	NPD6780	Approved
0.6598	Remote Similarity	NPD6779	Approved
0.6598	Remote Similarity	NPD6781	Approved
0.6598	Remote Similarity	NPD6776	Approved
0.6598	Remote Similarity	NPD6778	Approved
0.6598	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD3751	Discontinued
0.6591	Remote Similarity	NPD5353	Approved
0.6591	Remote Similarity	NPD5402	Approved
0.659	Remote Similarity	NPD3226	Approved
0.6588	Remote Similarity	NPD4357	Discontinued
0.6585	Remote Similarity	NPD4097	Suspended
0.6582	Remote Similarity	NPD4002	Approved
0.6582	Remote Similarity	NPD4004	Approved
0.6581	Remote Similarity	NPD4626	Approved
0.6573	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD2796	Approved
0.6566	Remote Similarity	NPD2438	Suspended
0.6564	Remote Similarity	NPD2979	Phase 3
0.6564	Remote Similarity	NPD3450	Approved
0.6564	Remote Similarity	NPD3452	Approved
0.6562	Remote Similarity	NPD2861	Phase 2
0.6561	Remote Similarity	NPD9269	Phase 2
0.6556	Remote Similarity	NPD3787	Discontinued
0.6554	Remote Similarity	NPD7768	Phase 2
0.6548	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD8150	Discontinued
0.6537	Remote Similarity	NPD4111	Phase 1
0.6537	Remote Similarity	NPD4665	Approved
0.6527	Remote Similarity	NPD5763	Approved
0.6527	Remote Similarity	NPD2346	Discontinued
0.6527	Remote Similarity	NPD5762	Approved
0.6526	Remote Similarity	NPD2490	Approved
0.6526	Remote Similarity	NPD2488	Approved
0.6524	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD5124	Phase 1
0.6522	Remote Similarity	NPD4908	Phase 1
0.6519	Remote Similarity	NPD4749	Approved
0.6517	Remote Similarity	NPD3749	Approved
0.6516	Remote Similarity	NPD1651	Approved
0.6512	Remote Similarity	NPD6273	Approved
0.65	Remote Similarity	NPD8151	Discontinued
0.6497	Remote Similarity	NPD7680	Approved
0.6497	Remote Similarity	NPD7435	Discontinued
0.6497	Remote Similarity	NPD1281	Approved
0.6494	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD2424	Discontinued
0.6484	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD3019	Approved
0.6474	Remote Similarity	NPD2932	Approved
0.6473	Remote Similarity	NPD7907	Approved
0.6471	Remote Similarity	NPD8312	Approved
0.6471	Remote Similarity	NPD8313	Approved
0.646	Remote Similarity	NPD3018	Phase 2
0.6456	Remote Similarity	NPD3972	Approved
0.6453	Remote Similarity	NPD642	Clinical (unspecified phase)
0.645	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6443	Remote Similarity	NPD2975	Approved
0.6443	Remote Similarity	NPD2974	Approved
0.6443	Remote Similarity	NPD2973	Approved
0.6429	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6004	Phase 3
0.6429	Remote Similarity	NPD6002	Phase 3
0.6429	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6005	Phase 3
0.6429	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD4580	Approved

Structure

CID218628 OpenBabel06191716012D 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 0 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 0 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 12 1 0 0 0 0 10 22 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 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 0 0 0 0 21 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	12088767
ChEMBL	CHEMBL1088042
ZINC

Physicochemical Properties

Molecular Weight:	344.20
ALogP:	0.5079
MLogP:	3.33
XLogP:	3.615
# 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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