NPASS Natural Product

Natural Product: NPC65855

Natural Product ID:	NPC65855
Common Name:	(1R)-2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methylpiperidin-2-Yl]-1-Phenylethanol
IUPAC Name:	(1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
Synonyms:
Molecular Formula:	C22H29NO2
Standard InCHIKey:	OWGJQNXIWMMDTH-COPRSSIGSA-N
Standard InCHI:	InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
Canonical SMILES:	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)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
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota				TCM_Taiwan*
NPO27555	Sedum acre	Species	Crassulaceae	Eukaryota				TCM_Taiwan*

Biological Activity

Activity Type	# Activity
Ki	1

Activity Type	# Activity
Protein Complex	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT413	Protein Complex	Neuronal acetylcholine receptor	Rattus norvegicus	Ki	=	300	nM	10479304

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 NPC65855 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	75
0.1-0.2	576
0.2-0.3	1949
0.3-0.4	7852
0.4-0.5	10725
0.5-0.6	8029
0.6-0.7	1529
0.7-0.8	144
0.8-0.85	5
0.85-0.9	4
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC292758
0.8707	High Similarity	NPC285394
0.8654	High Similarity	NPC214200
0.8654	High Similarity	NPC228400
0.8547	High Similarity	NPC307020
0.8165	Intermediate Similarity	NPC211551
0.8073	Intermediate Similarity	NPC226778
0.8073	Intermediate Similarity	NPC147000
0.8073	Intermediate Similarity	NPC304761
0.8073	Intermediate Similarity	NPC150254
0.7951	Intermediate Similarity	NPC65310
0.7944	Intermediate Similarity	NPC164514
0.7944	Intermediate Similarity	NPC226096
0.7944	Intermediate Similarity	NPC303611
0.7944	Intermediate Similarity	NPC290515
0.7944	Intermediate Similarity	NPC108606
0.789	Intermediate Similarity	NPC327226
0.7798	Intermediate Similarity	NPC316797
0.7723	Intermediate Similarity	NPC304538
0.7717	Intermediate Similarity	NPC313663
0.7664	Intermediate Similarity	NPC215351
0.7664	Intermediate Similarity	NPC20142
0.7647	Intermediate Similarity	NPC99482
0.7623	Intermediate Similarity	NPC213126
0.7623	Intermediate Similarity	NPC317474
0.7623	Intermediate Similarity	NPC291027
0.7623	Intermediate Similarity	NPC169485
0.7623	Intermediate Similarity	NPC84281
0.7597	Intermediate Similarity	NPC273907
0.7597	Intermediate Similarity	NPC475598
0.7597	Intermediate Similarity	NPC118099
0.7597	Intermediate Similarity	NPC76785
0.7597	Intermediate Similarity	NPC9687
0.7597	Intermediate Similarity	NPC474787
0.7597	Intermediate Similarity	NPC474811
0.7597	Intermediate Similarity	NPC49577
0.7597	Intermediate Similarity	NPC90194
0.7597	Intermediate Similarity	NPC260045
0.7597	Intermediate Similarity	NPC474855
0.7597	Intermediate Similarity	NPC475318
0.7597	Intermediate Similarity	NPC293377
0.7597	Intermediate Similarity	NPC476102
0.7597	Intermediate Similarity	NPC151706
0.7597	Intermediate Similarity	NPC79465
0.7565	Intermediate Similarity	NPC24777
0.754	Intermediate Similarity	NPC469666
0.7525	Intermediate Similarity	NPC103326
0.7525	Intermediate Similarity	NPC99394
0.7525	Intermediate Similarity	NPC283012
0.7525	Intermediate Similarity	NPC475199
0.7525	Intermediate Similarity	NPC87299
0.7525	Intermediate Similarity	NPC329319
0.7523	Intermediate Similarity	NPC33168
0.7426	Intermediate Similarity	NPC117180
0.7422	Intermediate Similarity	NPC126859
0.7422	Intermediate Similarity	NPC89769
0.7422	Intermediate Similarity	NPC259665
0.7402	Intermediate Similarity	NPC268763
0.7402	Intermediate Similarity	NPC66177
0.7402	Intermediate Similarity	NPC8305
0.7387	Intermediate Similarity	NPC132078
0.7387	Intermediate Similarity	NPC216468
0.7387	Intermediate Similarity	NPC51333
0.7387	Intermediate Similarity	NPC78119
0.7385	Intermediate Similarity	NPC132847
0.7364	Intermediate Similarity	NPC257390
0.7358	Intermediate Similarity	NPC1793
0.7353	Intermediate Similarity	NPC73637
0.7353	Intermediate Similarity	NPC121478
0.7339	Intermediate Similarity	NPC58674
0.7333	Intermediate Similarity	NPC211237
0.7327	Intermediate Similarity	NPC184030
0.7327	Intermediate Similarity	NPC164449
0.7321	Intermediate Similarity	NPC155847
0.7321	Intermediate Similarity	NPC213730
0.7321	Intermediate Similarity	NPC294741
0.7321	Intermediate Similarity	NPC289381
0.7317	Intermediate Similarity	NPC326232
0.7317	Intermediate Similarity	NPC321133
0.7315	Intermediate Similarity	NPC265521
0.7311	Intermediate Similarity	NPC1986
0.7311	Intermediate Similarity	NPC474544
0.7302	Intermediate Similarity	NPC474847
0.729	Intermediate Similarity	NPC172128
0.7281	Intermediate Similarity	NPC88267
0.7281	Intermediate Similarity	NPC194390
0.7281	Intermediate Similarity	NPC224610
0.7281	Intermediate Similarity	NPC113326
0.7273	Intermediate Similarity	NPC82963
0.7257	Intermediate Similarity	NPC7686
0.7257	Intermediate Similarity	NPC40258
0.7257	Intermediate Similarity	NPC91461
0.7217	Intermediate Similarity	NPC154899
0.7217	Intermediate Similarity	NPC233396
0.7213	Intermediate Similarity	NPC311737
0.7213	Intermediate Similarity	NPC38458
0.7212	Intermediate Similarity	NPC95429
0.7209	Intermediate Similarity	NPC124802
0.7209	Intermediate Similarity	NPC69496
0.7207	Intermediate Similarity	NPC311242
0.72	Intermediate Similarity	NPC26285
0.72	Intermediate Similarity	NPC109151
0.7196	Intermediate Similarity	NPC199567
0.7193	Intermediate Similarity	NPC19856
0.719	Intermediate Similarity	NPC10286
0.719	Intermediate Similarity	NPC213
0.7188	Intermediate Similarity	NPC305717
0.7179	Intermediate Similarity	NPC24101
0.7179	Intermediate Similarity	NPC96224
0.7165	Intermediate Similarity	NPC477248
0.7165	Intermediate Similarity	NPC477249
0.7155	Intermediate Similarity	NPC135464
0.7155	Intermediate Similarity	NPC92623
0.7143	Intermediate Similarity	NPC269340
0.7132	Intermediate Similarity	NPC40488
0.7117	Intermediate Similarity	NPC26244
0.7117	Intermediate Similarity	NPC21959
0.7115	Intermediate Similarity	NPC172984
0.7094	Intermediate Similarity	NPC27252
0.7094	Intermediate Similarity	NPC472980
0.7094	Intermediate Similarity	NPC472979
0.709	Intermediate Similarity	NPC316906
0.7087	Intermediate Similarity	NPC133050
0.7075	Intermediate Similarity	NPC93843
0.7075	Intermediate Similarity	NPC474211
0.7073	Intermediate Similarity	NPC137096
0.7069	Intermediate Similarity	NPC167336
0.7069	Intermediate Similarity	NPC243601
0.7064	Intermediate Similarity	NPC470926
0.7059	Intermediate Similarity	NPC474149
0.7054	Intermediate Similarity	NPC473388
0.7054	Intermediate Similarity	NPC289201
0.7049	Intermediate Similarity	NPC101139
0.7045	Intermediate Similarity	NPC245836
0.7045	Intermediate Similarity	NPC233910
0.7037	Intermediate Similarity	NPC193528
0.7034	Intermediate Similarity	NPC149455
0.7034	Intermediate Similarity	NPC153690
0.7034	Intermediate Similarity	NPC64642
0.7034	Intermediate Similarity	NPC472982
0.7031	Intermediate Similarity	NPC62101
0.7031	Intermediate Similarity	NPC95733
0.7031	Intermediate Similarity	NPC4974
0.703	Intermediate Similarity	NPC66655
0.7027	Intermediate Similarity	NPC151715
0.7027	Intermediate Similarity	NPC206764
0.7018	Intermediate Similarity	NPC469481
0.7018	Intermediate Similarity	NPC469457
0.7009	Intermediate Similarity	NPC198747
0.7009	Intermediate Similarity	NPC231705
0.7	Intermediate Similarity	NPC128645
0.7	Intermediate Similarity	NPC81092
0.7	Intermediate Similarity	NPC17374
0.7	Intermediate Similarity	NPC103605
0.6992	Remote Similarity	NPC474473
0.6991	Remote Similarity	NPC474073
0.6985	Remote Similarity	NPC150712
0.6983	Remote Similarity	NPC323810
0.6981	Remote Similarity	NPC474354
0.6977	Remote Similarity	NPC29477
0.6975	Remote Similarity	NPC158854
0.6975	Remote Similarity	NPC145638
0.6975	Remote Similarity	NPC258056
0.6975	Remote Similarity	NPC290566
0.6967	Remote Similarity	NPC118202
0.696	Remote Similarity	NPC43275
0.695	Remote Similarity	NPC476151
0.6949	Remote Similarity	NPC142297
0.6942	Remote Similarity	NPC290353
0.6942	Remote Similarity	NPC42911
0.6942	Remote Similarity	NPC153795
0.694	Remote Similarity	NPC473360
0.6937	Remote Similarity	NPC325292
0.6937	Remote Similarity	NPC138117
0.6929	Remote Similarity	NPC185838
0.6929	Remote Similarity	NPC474862
0.6923	Remote Similarity	NPC218323
0.6917	Remote Similarity	NPC63345
0.6917	Remote Similarity	NPC149379
0.6917	Remote Similarity	NPC3202
0.6916	Remote Similarity	NPC203076
0.6911	Remote Similarity	NPC317254
0.6909	Remote Similarity	NPC79917
0.6905	Remote Similarity	NPC190663
0.6897	Remote Similarity	NPC178902
0.6893	Remote Similarity	NPC469894
0.6891	Remote Similarity	NPC262365
0.6887	Remote Similarity	NPC168855
0.6875	Remote Similarity	NPC161972
0.6875	Remote Similarity	NPC303045
0.6875	Remote Similarity	NPC76938
0.6861	Remote Similarity	NPC219233
0.6861	Remote Similarity	NPC170170
0.6861	Remote Similarity	NPC211468
0.686	Remote Similarity	NPC234376
0.686	Remote Similarity	NPC471188
0.6857	Remote Similarity	NPC475578
0.6857	Remote Similarity	NPC44649
0.6857	Remote Similarity	NPC328824
0.6853	Remote Similarity	NPC477565

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC65855 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	93
0.1-0.2	357
0.2-0.3	804
0.3-0.4	1535
0.4-0.5	2892
0.5-0.6	2332
0.6-0.7	850
0.7-0.8	249
0.8-0.85	24
0.85-0.9	24
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9231	High Similarity	NPD4095	Clinical (unspecified phase)
0.8972	High Similarity	NPD4025	Clinical (unspecified phase)
0.8846	High Similarity	NPD4658	Approved
0.8846	High Similarity	NPD4229	Approved
0.8846	High Similarity	NPD4231	Approved
0.8846	High Similarity	NPD4656	Approved
0.8774	High Similarity	NPD3526	Approved
0.8774	High Similarity	NPD3524	Approved
0.875	High Similarity	NPD855	Approved
0.875	High Similarity	NPD854	Approved
0.8716	High Similarity	NPD4572	Approved
0.8716	High Similarity	NPD4571	Approved
0.8716	High Similarity	NPD4573	Approved
0.8707	High Similarity	NPD5159	Phase 2
0.8707	High Similarity	NPD5157	Phase 1
0.8707	High Similarity	NPD5158	Clinical (unspecified phase)
0.8684	High Similarity	NPD5238	Clinical (unspecified phase)
0.8661	High Similarity	NPD6775	Clinical (unspecified phase)
0.8571	High Similarity	NPD4719	Phase 2
0.8571	High Similarity	NPD4817	Approved
0.8571	High Similarity	NPD4818	Approved
0.8559	High Similarity	NPD4103	Phase 2
0.8559	High Similarity	NPD4104	Clinical (unspecified phase)
0.8547	High Similarity	NPD4659	Approved
0.8522	High Similarity	NPD7725	Approved
0.8491	Intermediate Similarity	NPD3681	Approved
0.8491	Intermediate Similarity	NPD3683	Approved
0.8376	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.8376	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.8362	Intermediate Similarity	NPD5723	Approved
0.8318	Intermediate Similarity	NPD3682	Approved
0.8318	Intermediate Similarity	NPD3680	Approved
0.8288	Intermediate Similarity	NPD4253	Approved
0.8288	Intermediate Similarity	NPD4254	Approved
0.8108	Intermediate Similarity	NPD4720	Approved
0.8108	Intermediate Similarity	NPD4717	Approved
0.8108	Intermediate Similarity	NPD4718	Approved
0.8091	Intermediate Similarity	NPD812	Approved
0.8091	Intermediate Similarity	NPD810	Approved
0.8091	Intermediate Similarity	NPD811	Approved
0.8073	Intermediate Similarity	NPD10	Approved
0.8073	Intermediate Similarity	NPD311	Approved
0.8073	Intermediate Similarity	NPD310	Approved
0.8073	Intermediate Similarity	NPD309	Approved
0.8073	Intermediate Similarity	NPD314	Approved
0.8073	Intermediate Similarity	NPD315	Approved
0.8067	Intermediate Similarity	NPD3974	Phase 2
0.8034	Intermediate Similarity	NPD2227	Clinical (unspecified phase)
0.8018	Intermediate Similarity	NPD6038	Clinical (unspecified phase)
0.7966	Intermediate Similarity	NPD1710	Approved
0.7951	Intermediate Similarity	NPD2159	Approved
0.7951	Intermediate Similarity	NPD2625	Approved
0.7951	Intermediate Similarity	NPD2160	Approved
0.7951	Intermediate Similarity	NPD2627	Approved
0.7951	Intermediate Similarity	NPD2626	Approved
0.7951	Intermediate Similarity	NPD2628	Approved
0.7944	Intermediate Similarity	NPD9611	Approved
0.7944	Intermediate Similarity	NPD9609	Approved
0.7944	Intermediate Similarity	NPD9612	Approved
0.7903	Intermediate Similarity	NPD5202	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD2500	Approved
0.7895	Intermediate Similarity	NPD2499	Approved
0.789	Intermediate Similarity	NPD4189	Approved
0.789	Intermediate Similarity	NPD4188	Approved
0.7851	Intermediate Similarity	NPD2562	Approved
0.7851	Intermediate Similarity	NPD7250	Approved
0.7851	Intermediate Similarity	NPD7249	Approved
0.7851	Intermediate Similarity	NPD2561	Approved
0.7798	Intermediate Similarity	NPD2552	Approved
0.7798	Intermediate Similarity	NPD2555	Approved
0.7798	Intermediate Similarity	NPD2549	Approved
0.7798	Intermediate Similarity	NPD2550	Approved
0.7798	Intermediate Similarity	NPD2553	Approved
0.7798	Intermediate Similarity	NPD2558	Approved
0.7797	Intermediate Similarity	NPD7522	Discontinued
0.7795	Intermediate Similarity	NPD6310	Approved
0.7795	Intermediate Similarity	NPD6311	Approved
0.7795	Intermediate Similarity	NPD6309	Approved
0.7768	Intermediate Similarity	NPD5704	Approved
0.7768	Intermediate Similarity	NPD5706	Approved
0.7768	Intermediate Similarity	NPD5705	Approved
0.776	Intermediate Similarity	NPD4620	Approved
0.776	Intermediate Similarity	NPD5203	Approved
0.776	Intermediate Similarity	NPD4617	Approved
0.776	Intermediate Similarity	NPD5201	Approved
0.7759	Intermediate Similarity	NPD2229	Approved
0.7759	Intermediate Similarity	NPD2228	Approved
0.7759	Intermediate Similarity	NPD2234	Approved
0.7731	Intermediate Similarity	NPD5303	Approved
0.7731	Intermediate Similarity	NPD5304	Approved
0.7717	Intermediate Similarity	NPD7714	Approved
0.7717	Intermediate Similarity	NPD7715	Approved
0.7679	Intermediate Similarity	NPD5717	Approved
0.7652	Intermediate Similarity	NPD2201	Approved
0.7642	Intermediate Similarity	NPD6025	Phase 1
0.7623	Intermediate Similarity	NPD2608	Approved
0.7623	Intermediate Similarity	NPD3132	Approved
0.7623	Intermediate Similarity	NPD4217	Approved
0.7623	Intermediate Similarity	NPD2612	Approved
0.7623	Intermediate Similarity	NPD4215	Approved
0.7623	Intermediate Similarity	NPD4218	Approved
0.7623	Intermediate Similarity	NPD3131	Approved
0.7623	Intermediate Similarity	NPD4216	Approved
0.7623	Intermediate Similarity	NPD2611	Approved
0.7623	Intermediate Similarity	NPD2610	Approved
0.7623	Intermediate Similarity	NPD2609	Approved
0.7589	Intermediate Similarity	NPD3047	Approved
0.7589	Intermediate Similarity	NPD3048	Approved
0.7589	Intermediate Similarity	NPD3046	Approved
0.7583	Intermediate Similarity	NPD7042	Phase 3
0.7583	Intermediate Similarity	NPD2106	Clinical (unspecified phase)
0.7583	Intermediate Similarity	NPD4016	Approved
0.7581	Intermediate Similarity	NPD5667	Approved
0.7568	Intermediate Similarity	NPD4119	Approved
0.7565	Intermediate Similarity	NPD5236	Approved
0.7565	Intermediate Similarity	NPD5235	Approved
0.7565	Intermediate Similarity	NPD5237	Approved
0.7565	Intermediate Similarity	NPD5240	Approved
0.7565	Intermediate Similarity	NPD5239	Approved
0.7565	Intermediate Similarity	NPD551	Approved
0.7565	Intermediate Similarity	NPD1792	Phase 2
0.7565	Intermediate Similarity	NPD550	Approved
0.7563	Intermediate Similarity	NPD3123	Discovery
0.7538	Intermediate Similarity	NPD6817	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD4093	Discontinued
0.7519	Intermediate Similarity	NPD5120	Approved
0.7519	Intermediate Similarity	NPD5119	Approved
0.7519	Intermediate Similarity	NPD5121	Approved
0.746	Intermediate Similarity	NPD4980	Approved
0.7459	Intermediate Similarity	NPD4593	Approved
0.7459	Intermediate Similarity	NPD4594	Approved
0.7456	Intermediate Similarity	NPD2551	Approved
0.7456	Intermediate Similarity	NPD1445	Approved
0.7456	Intermediate Similarity	NPD1444	Approved
0.7456	Intermediate Similarity	NPD2559	Approved
0.7442	Intermediate Similarity	NPD7086	Phase 2
0.744	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD2226	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD4026	Approved
0.7426	Intermediate Similarity	NPD4027	Approved
0.7422	Intermediate Similarity	NPD5156	Approved
0.7422	Intermediate Similarity	NPD5155	Approved
0.7417	Intermediate Similarity	NPD4574	Approved
0.7417	Intermediate Similarity	NPD4576	Approved
0.7411	Intermediate Similarity	NPD5716	Approved
0.7402	Intermediate Similarity	NPD3635	Approved
0.7402	Intermediate Similarity	NPD3637	Approved
0.7402	Intermediate Similarity	NPD3636	Approved
0.7402	Intermediate Similarity	NPD5204	Approved
0.7381	Intermediate Similarity	NPD4098	Discontinued
0.7377	Intermediate Similarity	NPD770	Discontinued
0.7368	Intermediate Similarity	NPD7939	Discontinued
0.7364	Intermediate Similarity	NPD4621	Approved
0.7364	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD4619	Approved
0.7355	Intermediate Similarity	NPD856	Approved
0.7355	Intermediate Similarity	NPD828	Approved
0.7355	Intermediate Similarity	NPD2484	Approved
0.7355	Intermediate Similarity	NPD2485	Approved
0.7355	Intermediate Similarity	NPD16	Approved
0.7355	Intermediate Similarity	NPD317	Approved
0.7355	Intermediate Similarity	NPD318	Approved
0.7344	Intermediate Similarity	NPD2606	Approved
0.7344	Intermediate Similarity	NPD2605	Approved
0.7333	Intermediate Similarity	NPD7508	Discontinued
0.7323	Intermediate Similarity	NPD7247	Discontinued
0.7323	Intermediate Similarity	NPD6259	Discontinued
0.7317	Intermediate Similarity	NPD2667	Approved
0.7317	Intermediate Similarity	NPD2668	Approved
0.7313	Intermediate Similarity	NPD2174	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD4117	Approved
0.728	Intermediate Similarity	NPD2233	Approved
0.728	Intermediate Similarity	NPD4273	Approved
0.728	Intermediate Similarity	NPD2232	Approved
0.728	Intermediate Similarity	NPD2230	Approved
0.7279	Intermediate Similarity	NPD7488	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD6676	Phase 2
0.7273	Intermediate Similarity	NPD3528	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5500	Discontinued
0.7266	Intermediate Similarity	NPD6984	Approved
0.7258	Intermediate Similarity	NPD4135	Approved
0.7258	Intermediate Similarity	NPD4106	Approved
0.7258	Intermediate Similarity	NPD4136	Approved
0.7252	Intermediate Similarity	NPD6346	Approved
0.7244	Intermediate Similarity	NPD3826	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD5252	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD4636	Approved
0.7236	Intermediate Similarity	NPD6382	Discontinued
0.7218	Intermediate Similarity	NPD3553	Approved
0.7218	Intermediate Similarity	NPD3555	Approved
0.7218	Intermediate Similarity	NPD3554	Approved
0.7218	Intermediate Similarity	NPD3552	Approved
0.7209	Intermediate Similarity	NPD3594	Approved
0.7209	Intermediate Similarity	NPD3595	Approved
0.7209	Intermediate Similarity	NPD2613	Approved
0.7206	Intermediate Similarity	NPD5177	Phase 3
0.72	Intermediate Similarity	NPD2173	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD7431	Approved
0.7197	Intermediate Similarity	NPD7430	Approved
0.7193	Intermediate Similarity	NPD5700	Clinical (unspecified phase)

Structure

CID65855 OpenBabel06191715402D 25 27 0 0 1 0 0 0 0 0999 V2000 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 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 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 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 -0.0000 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 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 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 0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 2 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 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 17 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 15 1 1 0 0 0 19 23 1 0 0 0 0 20 16 1 1 0 0 0 20 23 1 0 0 0 0 21 24 1 6 0 0 0 22 25 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	442646
ChEMBL	CHEMBL122676
ZINC

Physicochemical Properties

Molecular Weight:	339.22
ALogP:	-2.4467
MLogP:	3.55
XLogP:	6.189
# Rotatable Bonds:	9
Polar Surface Area:	43.7
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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