NPASS Natural Product

Natural Product: NPC166279

Natural Product ID:	NPC166279
Common Name:	Gamma-Eudesmol 11-Alpha-L-Rhamnoside
IUPAC Name:	(2S,3R,4R,5R,6S)-2-[2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
Synonyms:
Molecular Formula:	C21H36O5
Standard InCHIKey:	QKXSRJAHTPTJNG-NERVGUTLSA-N
Standard InCHI:	InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3/t13-,14+,16-,17+,18+,19-,21+/m0/s1
Canonical SMILES:	O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)OC([C@@H]1CC[C@@]2(C(=C(C)CCC2)C1)C)(C)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
NPO9348	Cananga odorata	Species	Annonaceae	Eukaryota	fruits			PMID[11374955]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	3.9	ug/ml	19581457
NPT2	Others	Unspecified		IC50	=	10.6	ug/ml	19581457

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 NPC166279 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	129
0.1-0.2	1128
0.2-0.3	3713
0.3-0.4	9693
0.4-0.5	6959
0.5-0.6	4706
0.6-0.7	3445
0.7-0.8	1011
0.8-0.85	83
0.85-0.9	18
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9176	High Similarity	NPC302584
0.907	High Similarity	NPC67398
0.907	High Similarity	NPC91654
0.907	High Similarity	NPC474792
0.8889	High Similarity	NPC16090
0.8765	High Similarity	NPC100697
0.875	High Similarity	NPC305160
0.8721	High Similarity	NPC473058
0.8667	High Similarity	NPC96597
0.8667	High Similarity	NPC91197
0.8667	High Similarity	NPC125551
0.8667	High Similarity	NPC309503
0.8667	High Similarity	NPC155319
0.8667	High Similarity	NPC239547
0.8621	High Similarity	NPC159876
0.8588	High Similarity	NPC470836
0.8556	High Similarity	NPC90583
0.8554	High Similarity	NPC20072
0.8539	High Similarity	NPC96736
0.8539	High Similarity	NPC477927
0.8539	High Similarity	NPC178949
0.8539	High Similarity	NPC72817
0.8462	Intermediate Similarity	NPC473890
0.8462	Intermediate Similarity	NPC243728
0.8391	Intermediate Similarity	NPC248312
0.8387	Intermediate Similarity	NPC280991
0.837	Intermediate Similarity	NPC5358
0.837	Intermediate Similarity	NPC216260
0.837	Intermediate Similarity	NPC158088
0.8352	Intermediate Similarity	NPC207617
0.8333	Intermediate Similarity	NPC211238
0.8293	Intermediate Similarity	NPC177343
0.828	Intermediate Similarity	NPC469942
0.828	Intermediate Similarity	NPC64348
0.828	Intermediate Similarity	NPC282669
0.8261	Intermediate Similarity	NPC240372
0.8242	Intermediate Similarity	NPC230347
0.8242	Intermediate Similarity	NPC286612
0.8242	Intermediate Similarity	NPC275310
0.8202	Intermediate Similarity	NPC261990
0.8202	Intermediate Similarity	NPC474249
0.8191	Intermediate Similarity	NPC472023
0.8191	Intermediate Similarity	NPC160734
0.8191	Intermediate Similarity	NPC47566
0.8191	Intermediate Similarity	NPC88000
0.8191	Intermediate Similarity	NPC129372
0.8191	Intermediate Similarity	NPC267510
0.8191	Intermediate Similarity	NPC117714
0.8191	Intermediate Similarity	NPC285231
0.8191	Intermediate Similarity	NPC470434
0.8191	Intermediate Similarity	NPC309425
0.8191	Intermediate Similarity	NPC4831
0.8191	Intermediate Similarity	NPC21568
0.8191	Intermediate Similarity	NPC263756
0.8172	Intermediate Similarity	NPC234287
0.8172	Intermediate Similarity	NPC280825
0.8172	Intermediate Similarity	NPC275865
0.8172	Intermediate Similarity	NPC477928
0.8125	Intermediate Similarity	NPC470885
0.8125	Intermediate Similarity	NPC187400
0.8125	Intermediate Similarity	NPC221562
0.8105	Intermediate Similarity	NPC30289
0.8105	Intermediate Similarity	NPC76497
0.8105	Intermediate Similarity	NPC256133
0.8105	Intermediate Similarity	NPC272015
0.8105	Intermediate Similarity	NPC213674
0.8105	Intermediate Similarity	NPC154452
0.8105	Intermediate Similarity	NPC136816
0.809	Intermediate Similarity	NPC309310
0.8085	Intermediate Similarity	NPC324598
0.8085	Intermediate Similarity	NPC473200
0.8085	Intermediate Similarity	NPC7341
0.8046	Intermediate Similarity	NPC477747
0.8046	Intermediate Similarity	NPC477746
0.8043	Intermediate Similarity	NPC108141
0.8041	Intermediate Similarity	NPC309448
0.8041	Intermediate Similarity	NPC26798
0.8041	Intermediate Similarity	NPC470767
0.8041	Intermediate Similarity	NPC474569
0.8041	Intermediate Similarity	NPC470763
0.8025	Intermediate Similarity	NPC308489
0.8022	Intermediate Similarity	NPC474835
0.8021	Intermediate Similarity	NPC8039
0.8021	Intermediate Similarity	NPC99627
0.8021	Intermediate Similarity	NPC157659
0.8021	Intermediate Similarity	NPC131479
0.8021	Intermediate Similarity	NPC155010
0.8021	Intermediate Similarity	NPC245280
0.8021	Intermediate Similarity	NPC473020
0.8021	Intermediate Similarity	NPC286969
0.8021	Intermediate Similarity	NPC213190
0.8021	Intermediate Similarity	NPC473129
0.8021	Intermediate Similarity	NPC114874
0.8021	Intermediate Similarity	NPC16520
0.8021	Intermediate Similarity	NPC472252
0.8021	Intermediate Similarity	NPC31907
0.8021	Intermediate Similarity	NPC120123
0.8021	Intermediate Similarity	NPC473123
0.8021	Intermediate Similarity	NPC162354
0.8021	Intermediate Similarity	NPC473124
0.8021	Intermediate Similarity	NPC123796
0.8021	Intermediate Similarity	NPC211879
0.8021	Intermediate Similarity	NPC189852
0.8	Intermediate Similarity	NPC121072
0.8	Intermediate Similarity	NPC21064
0.7979	Intermediate Similarity	NPC70733
0.7979	Intermediate Similarity	NPC56071
0.7959	Intermediate Similarity	NPC190395
0.7959	Intermediate Similarity	NPC33053
0.7959	Intermediate Similarity	NPC226642
0.7957	Intermediate Similarity	NPC472989
0.7938	Intermediate Similarity	NPC148603
0.7938	Intermediate Similarity	NPC75608
0.7938	Intermediate Similarity	NPC173583
0.7938	Intermediate Similarity	NPC473734
0.7938	Intermediate Similarity	NPC165033
0.7938	Intermediate Similarity	NPC93352
0.7938	Intermediate Similarity	NPC85593
0.7938	Intermediate Similarity	NPC57065
0.7938	Intermediate Similarity	NPC109792
0.7938	Intermediate Similarity	NPC470768
0.7938	Intermediate Similarity	NPC54521
0.7938	Intermediate Similarity	NPC473127
0.7938	Intermediate Similarity	NPC100955
0.7938	Intermediate Similarity	NPC273879
0.7938	Intermediate Similarity	NPC110656
0.7938	Intermediate Similarity	NPC230948
0.7938	Intermediate Similarity	NPC471434
0.7938	Intermediate Similarity	NPC31430
0.7938	Intermediate Similarity	NPC471435
0.7938	Intermediate Similarity	NPC203354
0.7938	Intermediate Similarity	NPC121566
0.7917	Intermediate Similarity	NPC470571
0.7917	Intermediate Similarity	NPC312553
0.7917	Intermediate Similarity	NPC159036
0.7917	Intermediate Similarity	NPC288694
0.7917	Intermediate Similarity	NPC22634
0.7912	Intermediate Similarity	NPC289361
0.7895	Intermediate Similarity	NPC473790
0.7879	Intermediate Similarity	NPC473288
0.7865	Intermediate Similarity	NPC189777
0.7865	Intermediate Similarity	NPC233744
0.7857	Intermediate Similarity	NPC181845
0.7857	Intermediate Similarity	NPC152584
0.7857	Intermediate Similarity	NPC472898
0.7857	Intermediate Similarity	NPC473199
0.7857	Intermediate Similarity	NPC472900
0.7857	Intermediate Similarity	NPC127801
0.7857	Intermediate Similarity	NPC160816
0.7857	Intermediate Similarity	NPC208477
0.7857	Intermediate Similarity	NPC272841
0.7857	Intermediate Similarity	NPC242748
0.7857	Intermediate Similarity	NPC472899
0.7857	Intermediate Similarity	NPC138057
0.7857	Intermediate Similarity	NPC208594
0.7857	Intermediate Similarity	NPC63023
0.7857	Intermediate Similarity	NPC210178
0.7857	Intermediate Similarity	NPC173859
0.7857	Intermediate Similarity	NPC269627
0.7857	Intermediate Similarity	NPC473476
0.7857	Intermediate Similarity	NPC69737
0.7857	Intermediate Similarity	NPC194842
0.7857	Intermediate Similarity	NPC95243
0.7857	Intermediate Similarity	NPC473923
0.7857	Intermediate Similarity	NPC470512
0.7841	Intermediate Similarity	NPC16350
0.7841	Intermediate Similarity	NPC308041
0.7835	Intermediate Similarity	NPC473198
0.7835	Intermediate Similarity	NPC16573
0.7835	Intermediate Similarity	NPC475701
0.7816	Intermediate Similarity	NPC241959
0.7802	Intermediate Similarity	NPC202886
0.78	Intermediate Similarity	NPC477070
0.78	Intermediate Similarity	NPC42482
0.78	Intermediate Similarity	NPC40440
0.78	Intermediate Similarity	NPC476835
0.78	Intermediate Similarity	NPC302057
0.78	Intermediate Similarity	NPC477069
0.7789	Intermediate Similarity	NPC309493
0.7778	Intermediate Similarity	NPC208650
0.7778	Intermediate Similarity	NPC293512
0.7778	Intermediate Similarity	NPC281939
0.7778	Intermediate Similarity	NPC181467
0.7778	Intermediate Similarity	NPC470432
0.7778	Intermediate Similarity	NPC283829
0.7778	Intermediate Similarity	NPC78034
0.7778	Intermediate Similarity	NPC230507
0.7778	Intermediate Similarity	NPC319030
0.7778	Intermediate Similarity	NPC257964
0.7778	Intermediate Similarity	NPC161676
0.7778	Intermediate Similarity	NPC94272
0.7778	Intermediate Similarity	NPC14946
0.7778	Intermediate Similarity	NPC63368
0.7778	Intermediate Similarity	NPC14704
0.7778	Intermediate Similarity	NPC113044
0.7778	Intermediate Similarity	NPC305423
0.7778	Intermediate Similarity	NPC231340
0.7778	Intermediate Similarity	NPC472390
0.7755	Intermediate Similarity	NPC470061
0.7755	Intermediate Similarity	NPC474464

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC166279 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	145
0.1-0.2	1848
0.2-0.3	4118
0.3-0.4	2041
0.4-0.5	543
0.5-0.6	345
0.6-0.7	110
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
0.7778	Intermediate Similarity	NPD6412	Phase 2
0.7624	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD6686	Approved
0.7176	Intermediate Similarity	NPD1810	Approved
0.7176	Intermediate Similarity	NPD1811	Approved
0.713	Intermediate Similarity	NPD8295	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7524	Approved
0.7064	Intermediate Similarity	NPD7327	Approved
0.7064	Intermediate Similarity	NPD7328	Approved
0.7027	Intermediate Similarity	NPD7503	Approved
0.7	Intermediate Similarity	NPD7516	Approved
0.6957	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD8294	Approved
0.6937	Remote Similarity	NPD8377	Approved
0.6907	Remote Similarity	NPD8171	Discontinued
0.6875	Remote Similarity	NPD8335	Approved
0.6875	Remote Similarity	NPD8379	Approved
0.6875	Remote Similarity	NPD8380	Approved
0.6875	Remote Similarity	NPD8296	Approved
0.6875	Remote Similarity	NPD8378	Approved
0.6875	Remote Similarity	NPD8033	Approved
0.6852	Remote Similarity	NPD8133	Approved
0.6848	Remote Similarity	NPD6695	Phase 3
0.6824	Remote Similarity	NPD2254	Approved
0.6824	Remote Similarity	NPD2687	Approved
0.6824	Remote Similarity	NPD2686	Approved
0.6778	Remote Similarity	NPD7645	Phase 2
0.6754	Remote Similarity	NPD8328	Phase 3
0.6703	Remote Similarity	NPD7525	Registered
0.6667	Remote Similarity	NPD6370	Approved
0.6638	Remote Similarity	NPD7507	Approved
0.6636	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6933	Approved
0.6562	Remote Similarity	NPD7750	Discontinued
0.6531	Remote Similarity	NPD3168	Discontinued
0.6522	Remote Similarity	NPD6931	Approved
0.6522	Remote Similarity	NPD6930	Phase 2
0.6522	Remote Similarity	NPD6928	Phase 2
0.6517	Remote Similarity	NPD7339	Approved
0.6517	Remote Similarity	NPD6942	Approved
0.6506	Remote Similarity	NPD371	Approved
0.6491	Remote Similarity	NPD6054	Approved
0.6491	Remote Similarity	NPD6059	Approved
0.6489	Remote Similarity	NPD3670	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD3669	Approved
0.6471	Remote Similarity	NPD7319	Approved
0.6444	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD8293	Discontinued
0.6437	Remote Similarity	NPD7532	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD6929	Approved
0.6404	Remote Similarity	NPD6924	Approved
0.6404	Remote Similarity	NPD6926	Approved
0.6387	Remote Similarity	NPD7736	Approved
0.6374	Remote Similarity	NPD6932	Approved
0.6344	Remote Similarity	NPD4748	Discontinued
0.6325	Remote Similarity	NPD6067	Discontinued
0.6311	Remote Similarity	NPD8449	Approved
0.63	Remote Similarity	NPD6411	Approved
0.63	Remote Similarity	NPD7087	Discontinued
0.6293	Remote Similarity	NPD8515	Approved
0.6293	Remote Similarity	NPD8513	Phase 3
0.6293	Remote Similarity	NPD6015	Approved
0.6293	Remote Similarity	NPD8516	Approved
0.6293	Remote Similarity	NPD8517	Approved
0.6293	Remote Similarity	NPD6016	Approved
0.6286	Remote Similarity	NPD5344	Discontinued
0.6273	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6271	Remote Similarity	NPD7492	Approved
0.6262	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.626	Remote Similarity	NPD8450	Suspended
0.625	Remote Similarity	NPD7638	Approved
0.625	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.625	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6239	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6239	Remote Similarity	NPD5988	Approved
0.6238	Remote Similarity	NPD6399	Phase 3
0.6237	Remote Similarity	NPD6683	Phase 2
0.6228	Remote Similarity	NPD6009	Approved
0.6224	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD6616	Approved
0.6216	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.62	Remote Similarity	NPD46	Approved
0.62	Remote Similarity	NPD6698	Approved
0.6196	Remote Similarity	NPD5776	Phase 2
0.6196	Remote Similarity	NPD6925	Approved
0.619	Remote Similarity	NPD7640	Approved
0.619	Remote Similarity	NPD7639	Approved
0.6186	Remote Similarity	NPD6893	Approved
0.618	Remote Similarity	NPD4243	Approved
0.617	Remote Similarity	NPD7514	Phase 3
0.617	Remote Similarity	NPD7332	Phase 2
0.617	Remote Similarity	NPD7509	Discontinued
0.6167	Remote Similarity	NPD7078	Approved
0.6161	Remote Similarity	NPD6882	Approved
0.6154	Remote Similarity	NPD6083	Phase 2
0.6154	Remote Similarity	NPD6084	Phase 2
0.6145	Remote Similarity	NPD1145	Discontinued
0.6136	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD4159	Approved
0.6129	Remote Similarity	NPD7145	Approved
0.6106	Remote Similarity	NPD4632	Approved
0.6105	Remote Similarity	NPD6898	Phase 1
0.61	Remote Similarity	NPD6101	Approved
0.61	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6087	Remote Similarity	NPD8137	Clinical (unspecified phase)
0.6082	Remote Similarity	NPD4786	Approved
0.6075	Remote Similarity	NPD7632	Discontinued
0.6068	Remote Similarity	NPD6319	Approved
0.6055	Remote Similarity	NPD5357	Phase 1
0.6055	Remote Similarity	NPD6675	Approved
0.6055	Remote Similarity	NPD6402	Approved
0.6055	Remote Similarity	NPD7128	Approved
0.6055	Remote Similarity	NPD5739	Approved
0.6044	Remote Similarity	NPD4785	Approved
0.6044	Remote Similarity	NPD4784	Approved
0.6042	Remote Similarity	NPD3667	Approved
0.604	Remote Similarity	NPD7838	Discovery
0.6019	Remote Similarity	NPD7748	Approved
0.6018	Remote Similarity	NPD8297	Approved
0.6	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7902	Approved
0.5984	Remote Similarity	NPD6033	Approved
0.598	Remote Similarity	NPD7637	Suspended
0.598	Remote Similarity	NPD7515	Phase 2
0.5962	Remote Similarity	NPD5695	Phase 3
0.5955	Remote Similarity	NPD6922	Approved
0.5955	Remote Similarity	NPD6923	Approved
0.5952	Remote Similarity	NPD6123	Approved
0.5949	Remote Similarity	NPD2269	Approved
0.5946	Remote Similarity	NPD7320	Approved
0.5946	Remote Similarity	NPD6881	Approved
0.5946	Remote Similarity	NPD6899	Approved
0.5943	Remote Similarity	NPD4225	Approved
0.5941	Remote Similarity	NPD4753	Phase 2
0.5941	Remote Similarity	NPD6051	Approved
0.5938	Remote Similarity	NPD1780	Approved
0.5938	Remote Similarity	NPD6902	Approved
0.5938	Remote Similarity	NPD1779	Approved
0.5922	Remote Similarity	NPD5779	Approved
0.5922	Remote Similarity	NPD5778	Approved
0.5918	Remote Similarity	NPD3665	Phase 1
0.5918	Remote Similarity	NPD3666	Approved
0.5918	Remote Similarity	NPD3133	Approved
0.5893	Remote Similarity	NPD6373	Approved
0.5893	Remote Similarity	NPD6372	Approved
0.5889	Remote Similarity	NPD7143	Approved
0.5889	Remote Similarity	NPD7144	Approved
0.5888	Remote Similarity	NPD6648	Approved
0.5887	Remote Similarity	NPD5956	Approved
0.5882	Remote Similarity	NPD8274	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD8522	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD368	Approved
0.5875	Remote Similarity	NPD892	Phase 3
0.5875	Remote Similarity	NPD891	Phase 3
0.5875	Remote Similarity	NPD890	Clinical (unspecified phase)
0.5875	Remote Similarity	NPD888	Phase 3
0.5875	Remote Similarity	NPD893	Approved
0.5865	Remote Similarity	NPD5282	Discontinued
0.5856	Remote Similarity	NPD5697	Approved
0.5856	Remote Similarity	NPD5701	Approved
0.5854	Remote Similarity	NPD2267	Suspended
0.5849	Remote Similarity	NPD4755	Approved
0.5841	Remote Similarity	NPD7102	Approved
0.5841	Remote Similarity	NPD7290	Approved
0.5841	Remote Similarity	NPD6883	Approved
0.5841	Remote Similarity	NPD4634	Approved
0.5833	Remote Similarity	NPD5125	Phase 3
0.5833	Remote Similarity	NPD8080	Discontinued
0.5833	Remote Similarity	NPD5126	Approved
0.5825	Remote Similarity	NPD7983	Approved
0.5824	Remote Similarity	NPD7150	Approved
0.5824	Remote Similarity	NPD7152	Approved
0.5824	Remote Similarity	NPD7151	Approved
0.5823	Remote Similarity	NPD905	Approved
0.5823	Remote Similarity	NPD904	Phase 3
0.5812	Remote Similarity	NPD7115	Discovery
0.5806	Remote Similarity	NPD4190	Phase 3
0.5806	Remote Similarity	NPD5275	Approved
0.5806	Remote Similarity	NPD8264	Approved
0.58	Remote Similarity	NPD3618	Phase 1
0.58	Remote Similarity	NPD6409	Approved
0.58	Remote Similarity	NPD5330	Approved
0.58	Remote Similarity	NPD7334	Approved
0.58	Remote Similarity	NPD6684	Approved
0.58	Remote Similarity	NPD7521	Approved
0.58	Remote Similarity	NPD7146	Approved
0.5794	Remote Similarity	NPD5696	Approved
0.5789	Remote Similarity	NPD6649	Approved
0.5789	Remote Similarity	NPD6617	Approved
0.5789	Remote Similarity	NPD6847	Approved
0.5789	Remote Similarity	NPD6650	Approved
0.5789	Remote Similarity	NPD8130	Phase 1
0.5789	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD6869	Approved
0.5785	Remote Similarity	NPD7604	Phase 2
0.5784	Remote Similarity	NPD5328	Approved
0.5772	Remote Similarity	NPD8074	Phase 3
0.5769	Remote Similarity	NPD4202	Approved
0.5766	Remote Similarity	NPD6640	Phase 3
0.5752	Remote Similarity	NPD6014	Approved

Structure

NPC166279 OpenBabel07101719522D 26 28 0 0 1 0 0 0 0 0999 V2000 -5.1962 0.0000 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 -1.2321 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -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 -3.4641 -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 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 2 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 1.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 O 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 0.8660 -2.5000 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 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 21 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 13 2 1 1 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 20 1 6 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 24 1 1 0 0 0 19 25 1 0 0 0 0 19 26 1 6 0 0 0 20 26 1 0 0 0 0 21 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	11132345
ChEMBL	CHEMBL477899
ZINC

Physicochemical Properties

Molecular Weight:	368.26
ALogP:	0.0476
MLogP:	3.22
XLogP:	3.635
# Rotatable Bonds:	11
Polar Surface Area:	79.15
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	26

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