NPASS Natural Product

Natural Product: NPC152946

Natural Product ID:	NPC152946
Common Name:	3Alpha-Hydroxy-12-Methoxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraene
IUPAC Name:	(2R,4aR,10aS)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
Synonyms:
Molecular Formula:	C19H26O2
Standard InCHIKey:	VOAVINJXKSDKJS-LMMKCTJWSA-N
Standard InCHI:	InChI=1S/C19H26O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16-17,20H,8-9H2,1-5H3/t16-,17-,19+/m1/s1
Canonical SMILES:	COc1cc2c(cc1C)C=C[C@H]1[C@@]2(C)CC[C@H](C1(C)C)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
NPO8960	Flueggea virosa	Species	Phyllanthaceae	Eukaryota	roots	Pingtung County, Taiwan	2011-SEP	PMID[24400834]
NPO670	Hyrtios gumminae	Species	Thorectidae	Eukaryota				UNPD*
NPO8960	Flueggea virosa	Species	Phyllanthaceae	Eukaryota				UNPD*
NPO1253	Nasturtium officinale	Species	Brassicaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
EC50	1
IC50	1
Others	1

Activity Type	# Activity
Organism	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio IC50/EC50	=	2.8		24400834
NPT2	Others	Unspecified		IC50	=	70000	nM	24400834
NPT191	Organism	Hepatitis C virus	Hepatitis C virus	EC50	=	24900	nM	24400834

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 NPC152946 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	238
0.1-0.2	1146
0.2-0.3	1840
0.3-0.4	5365
0.4-0.5	7443
0.5-0.6	4404
0.6-0.7	7780
0.7-0.8	2452
0.8-0.85	175
0.85-0.9	41
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9746	High Similarity	NPC76119
0.9746	High Similarity	NPC4286
0.9391	High Similarity	NPC312105
0.9262	High Similarity	NPC186889
0.9145	High Similarity	NPC477136
0.8957	High Similarity	NPC470723
0.8943	High Similarity	NPC470726
0.8917	High Similarity	NPC135467
0.8917	High Similarity	NPC260832
0.8898	High Similarity	NPC477137
0.8898	High Similarity	NPC38893
0.8898	High Similarity	NPC308311
0.8898	High Similarity	NPC219112
0.8889	High Similarity	NPC249425
0.8889	High Similarity	NPC196193
0.888	High Similarity	NPC223912
0.8871	High Similarity	NPC470724
0.8862	High Similarity	NPC75432
0.8843	High Similarity	NPC129176
0.8824	High Similarity	NPC25648
0.8814	High Similarity	NPC35797
0.8814	High Similarity	NPC192948
0.8814	High Similarity	NPC147179
0.876	High Similarity	NPC103916
0.875	High Similarity	NPC471671
0.875	High Similarity	NPC154030
0.875	High Similarity	NPC85595
0.8739	High Similarity	NPC92
0.8739	High Similarity	NPC469663
0.8739	High Similarity	NPC308828
0.8729	High Similarity	NPC268160
0.8718	High Similarity	NPC250323
0.8682	High Similarity	NPC227719
0.8678	High Similarity	NPC469644
0.8667	High Similarity	NPC304510
0.8667	High Similarity	NPC172219
0.8651	High Similarity	NPC471077
0.864	High Similarity	NPC124030
0.8595	High Similarity	NPC469609
0.8594	High Similarity	NPC470727
0.8583	High Similarity	NPC33900
0.8583	High Similarity	NPC201069
0.8559	High Similarity	NPC228425
0.8548	High Similarity	NPC30462
0.8547	High Similarity	NPC13482
0.85	High Similarity	NPC283169
0.8492	Intermediate Similarity	NPC105031
0.8487	Intermediate Similarity	NPC141003
0.8487	Intermediate Similarity	NPC35344
0.8485	Intermediate Similarity	NPC68292
0.8475	Intermediate Similarity	NPC176279
0.8475	Intermediate Similarity	NPC260323
0.8462	Intermediate Similarity	NPC27578
0.8462	Intermediate Similarity	NPC289624
0.8443	Intermediate Similarity	NPC63010
0.843	Intermediate Similarity	NPC471668
0.8417	Intermediate Similarity	NPC195922
0.8417	Intermediate Similarity	NPC470837
0.839	Intermediate Similarity	NPC132720
0.839	Intermediate Similarity	NPC141782
0.8385	Intermediate Similarity	NPC153019
0.8372	Intermediate Similarity	NPC206028
0.8346	Intermediate Similarity	NPC293801
0.8346	Intermediate Similarity	NPC471670
0.8346	Intermediate Similarity	NPC9067
0.8333	Intermediate Similarity	NPC213122
0.8321	Intermediate Similarity	NPC321502
0.8321	Intermediate Similarity	NPC165612
0.8305	Intermediate Similarity	NPC474272
0.8295	Intermediate Similarity	NPC307050
0.8295	Intermediate Similarity	NPC277458
0.8295	Intermediate Similarity	NPC215300
0.8293	Intermediate Similarity	NPC48342
0.8293	Intermediate Similarity	NPC164649
0.8293	Intermediate Similarity	NPC474040
0.8291	Intermediate Similarity	NPC151477
0.8291	Intermediate Similarity	NPC472980
0.8281	Intermediate Similarity	NPC170485
0.8279	Intermediate Similarity	NPC137496
0.8279	Intermediate Similarity	NPC474358
0.8279	Intermediate Similarity	NPC257540
0.8279	Intermediate Similarity	NPC474387
0.8279	Intermediate Similarity	NPC154511
0.8279	Intermediate Similarity	NPC247858
0.8268	Intermediate Similarity	NPC248557
0.8268	Intermediate Similarity	NPC61685
0.8268	Intermediate Similarity	NPC181334
0.8261	Intermediate Similarity	NPC24327
0.8261	Intermediate Similarity	NPC12870
0.8258	Intermediate Similarity	NPC211352
0.8254	Intermediate Similarity	NPC471794
0.8254	Intermediate Similarity	NPC478058
0.8254	Intermediate Similarity	NPC150026
0.8254	Intermediate Similarity	NPC188997
0.825	Intermediate Similarity	NPC98372
0.825	Intermediate Similarity	NPC46940
0.8244	Intermediate Similarity	NPC312341
0.8244	Intermediate Similarity	NPC239134
0.824	Intermediate Similarity	NPC212559
0.824	Intermediate Similarity	NPC259703
0.824	Intermediate Similarity	NPC100108
0.824	Intermediate Similarity	NPC32322
0.824	Intermediate Similarity	NPC277798
0.824	Intermediate Similarity	NPC328504
0.8226	Intermediate Similarity	NPC93071
0.8226	Intermediate Similarity	NPC151197
0.822	Intermediate Similarity	NPC75440
0.822	Intermediate Similarity	NPC201959
0.8217	Intermediate Similarity	NPC53781
0.8205	Intermediate Similarity	NPC21594
0.8203	Intermediate Similarity	NPC81641
0.8203	Intermediate Similarity	NPC228771
0.8203	Intermediate Similarity	NPC29008
0.8203	Intermediate Similarity	NPC266705
0.8195	Intermediate Similarity	NPC27394
0.8195	Intermediate Similarity	NPC473107
0.8189	Intermediate Similarity	NPC471187
0.8189	Intermediate Similarity	NPC261992
0.8182	Intermediate Similarity	NPC321086
0.8182	Intermediate Similarity	NPC715
0.8182	Intermediate Similarity	NPC59239
0.8175	Intermediate Similarity	NPC168707
0.8175	Intermediate Similarity	NPC48623
0.8175	Intermediate Similarity	NPC474115
0.8175	Intermediate Similarity	NPC475839
0.8168	Intermediate Similarity	NPC470725
0.8168	Intermediate Similarity	NPC99795
0.8167	Intermediate Similarity	NPC95716
0.8167	Intermediate Similarity	NPC275627
0.8167	Intermediate Similarity	NPC266937
0.8167	Intermediate Similarity	NPC470770
0.8154	Intermediate Similarity	NPC38017
0.8154	Intermediate Similarity	NPC47288
0.8151	Intermediate Similarity	NPC58865
0.8145	Intermediate Similarity	NPC474214
0.814	Intermediate Similarity	NPC325294
0.814	Intermediate Similarity	NPC321822
0.8136	Intermediate Similarity	NPC27252
0.8136	Intermediate Similarity	NPC472979
0.8125	Intermediate Similarity	NPC138248
0.8125	Intermediate Similarity	NPC111088
0.8125	Intermediate Similarity	NPC228503
0.812	Intermediate Similarity	NPC117115
0.812	Intermediate Similarity	NPC243601
0.811	Intermediate Similarity	NPC11250
0.811	Intermediate Similarity	NPC121168
0.811	Intermediate Similarity	NPC57199
0.8106	Intermediate Similarity	NPC282508
0.8106	Intermediate Similarity	NPC164295
0.8106	Intermediate Similarity	NPC78575
0.8099	Intermediate Similarity	NPC177962
0.8099	Intermediate Similarity	NPC228452
0.8099	Intermediate Similarity	NPC62867
0.8095	Intermediate Similarity	NPC131868
0.8095	Intermediate Similarity	NPC102639
0.8095	Intermediate Similarity	NPC45663
0.8092	Intermediate Similarity	NPC472797
0.8092	Intermediate Similarity	NPC472796
0.8092	Intermediate Similarity	NPC472795
0.8085	Intermediate Similarity	NPC478163
0.808	Intermediate Similarity	NPC474320
0.808	Intermediate Similarity	NPC471449
0.808	Intermediate Similarity	NPC126002
0.808	Intermediate Similarity	NPC51341
0.8077	Intermediate Similarity	NPC473221
0.8071	Intermediate Similarity	NPC471608
0.8067	Intermediate Similarity	NPC64642
0.8067	Intermediate Similarity	NPC11554
0.8067	Intermediate Similarity	NPC472982
0.8067	Intermediate Similarity	NPC149455
0.8065	Intermediate Similarity	NPC16030
0.8062	Intermediate Similarity	NPC87985
0.8062	Intermediate Similarity	NPC113495
0.8062	Intermediate Similarity	NPC105718
0.8062	Intermediate Similarity	NPC278955
0.806	Intermediate Similarity	NPC311256
0.8058	Intermediate Similarity	NPC473845
0.8051	Intermediate Similarity	NPC30416
0.8051	Intermediate Similarity	NPC113457
0.8049	Intermediate Similarity	NPC47194
0.8049	Intermediate Similarity	NPC469719
0.8047	Intermediate Similarity	NPC198014
0.8045	Intermediate Similarity	NPC183103
0.8045	Intermediate Similarity	NPC230219
0.8045	Intermediate Similarity	NPC312560
0.8045	Intermediate Similarity	NPC228843
0.8045	Intermediate Similarity	NPC472798
0.8043	Intermediate Similarity	NPC93640
0.8043	Intermediate Similarity	NPC186033
0.8043	Intermediate Similarity	NPC20631
0.8034	Intermediate Similarity	NPC241224
0.8031	Intermediate Similarity	NPC142198
0.8031	Intermediate Similarity	NPC251259
0.8031	Intermediate Similarity	NPC154696
0.8031	Intermediate Similarity	NPC476633
0.8031	Intermediate Similarity	NPC253627
0.8031	Intermediate Similarity	NPC77569
0.803	Intermediate Similarity	NPC254000
0.803	Intermediate Similarity	NPC143483
0.8029	Intermediate Similarity	NPC221134

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC152946 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	242
0.1-0.2	985
0.2-0.3	1148
0.3-0.4	2407
0.4-0.5	2219
0.5-0.6	1201
0.6-0.7	724
0.7-0.8	215
0.8-0.85	20
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.848	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.848	Intermediate Similarity	NPD5327	Phase 3
0.8473	Intermediate Similarity	NPD4097	Suspended
0.8462	Intermediate Similarity	NPD4140	Approved
0.8455	Intermediate Similarity	NPD4626	Approved
0.8425	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8425	Intermediate Similarity	NPD4624	Approved
0.8397	Intermediate Similarity	NPD5735	Approved
0.8374	Intermediate Similarity	NPD5691	Approved
0.8321	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.8321	Intermediate Similarity	NPD3620	Phase 2
0.8293	Intermediate Similarity	NPD3091	Approved
0.8195	Intermediate Similarity	NPD6353	Approved
0.8168	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.816	Intermediate Similarity	NPD3095	Discontinued
0.8125	Intermediate Similarity	NPD1283	Approved
0.8102	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.808	Intermediate Similarity	NPD1651	Approved
0.8045	Intermediate Similarity	NPD4060	Phase 1
0.8031	Intermediate Similarity	NPD3092	Approved
0.7984	Intermediate Similarity	NPD8651	Approved
0.7955	Intermediate Similarity	NPD4625	Phase 3
0.7939	Intermediate Similarity	NPD2861	Phase 2
0.7903	Intermediate Similarity	NPD7157	Approved
0.7891	Intermediate Similarity	NPD1281	Approved
0.7886	Intermediate Similarity	NPD5283	Phase 1
0.7846	Intermediate Similarity	NPD6696	Suspended
0.7805	Intermediate Similarity	NPD7635	Approved
0.7786	Intermediate Similarity	NPD7003	Approved
0.7786	Intermediate Similarity	NPD3094	Phase 2
0.7769	Intermediate Similarity	NPD2684	Approved
0.7769	Intermediate Similarity	NPD1669	Approved
0.7769	Intermediate Similarity	NPD4749	Approved
0.7761	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7734	Intermediate Similarity	NPD2932	Approved
0.7721	Intermediate Similarity	NPD3657	Discovery
0.7714	Intermediate Similarity	NPD6674	Discontinued
0.7698	Intermediate Similarity	NPD5762	Approved
0.7698	Intermediate Similarity	NPD7340	Approved
0.7698	Intermediate Similarity	NPD5763	Approved
0.7692	Intermediate Similarity	NPD2230	Approved
0.7692	Intermediate Similarity	NPD2232	Approved
0.7692	Intermediate Similarity	NPD2233	Approved
0.7686	Intermediate Similarity	NPD2342	Discontinued
0.7669	Intermediate Similarity	NPD5736	Approved
0.7664	Intermediate Similarity	NPD2157	Approved
0.7647	Intermediate Similarity	NPD2979	Phase 3
0.7647	Intermediate Similarity	NPD2238	Phase 2
0.7639	Intermediate Similarity	NPD6273	Approved
0.763	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD7041	Phase 2
0.7619	Intermediate Similarity	NPD6671	Approved
0.7619	Intermediate Similarity	NPD709	Approved
0.7615	Intermediate Similarity	NPD1610	Phase 2
0.7615	Intermediate Similarity	NPD1611	Approved
0.7612	Intermediate Similarity	NPD4908	Phase 1
0.76	Intermediate Similarity	NPD1398	Phase 1
0.7597	Intermediate Similarity	NPD2667	Approved
0.7597	Intermediate Similarity	NPD2668	Approved
0.7597	Intermediate Similarity	NPD1778	Approved
0.7597	Intermediate Similarity	NPD3019	Approved
0.7597	Intermediate Similarity	NPD4059	Approved
0.7586	Intermediate Similarity	NPD5699	Approved
0.7574	Intermediate Similarity	NPD8032	Phase 2
0.7561	Intermediate Similarity	NPD5451	Approved
0.7554	Intermediate Similarity	NPD4108	Discontinued
0.7542	Intermediate Similarity	NPD3020	Approved
0.7541	Intermediate Similarity	NPD290	Approved
0.7536	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD288	Approved
0.752	Intermediate Similarity	NPD7843	Approved
0.7519	Intermediate Similarity	NPD1357	Approved
0.7518	Intermediate Similarity	NPD3109	Approved
0.7518	Intermediate Similarity	NPD3110	Approved
0.75	Intermediate Similarity	NPD7294	Phase 1
0.75	Intermediate Similarity	NPD2438	Suspended
0.7463	Intermediate Similarity	NPD6584	Phase 3
0.7463	Intermediate Similarity	NPD3691	Phase 2
0.7463	Intermediate Similarity	NPD3690	Phase 2
0.7445	Intermediate Similarity	NPD6663	Approved
0.744	Intermediate Similarity	NPD228	Approved
0.7436	Intermediate Similarity	NPD1809	Phase 2
0.7436	Intermediate Similarity	NPD844	Approved
0.7426	Intermediate Similarity	NPD7095	Approved
0.7426	Intermediate Similarity	NPD3027	Phase 3
0.7424	Intermediate Similarity	NPD2235	Phase 2
0.7424	Intermediate Similarity	NPD2231	Phase 2
0.7419	Intermediate Similarity	NPD4750	Phase 3
0.7407	Intermediate Similarity	NPD1712	Approved
0.7394	Intermediate Similarity	NPD7037	Approved
0.7385	Intermediate Similarity	NPD5585	Approved
0.7385	Intermediate Similarity	NPD3443	Approved
0.7385	Intermediate Similarity	NPD3445	Approved
0.7385	Intermediate Similarity	NPD3444	Approved
0.7381	Intermediate Similarity	NPD1138	Approved
0.7376	Intermediate Similarity	NPD6100	Approved
0.7376	Intermediate Similarity	NPD4476	Approved
0.7376	Intermediate Similarity	NPD4477	Approved
0.7376	Intermediate Similarity	NPD6099	Approved
0.7376	Intermediate Similarity	NPD2531	Phase 2
0.7365	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.735	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD6387	Discontinued
0.7338	Intermediate Similarity	NPD6355	Discontinued
0.7333	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD5846	Approved
0.7328	Intermediate Similarity	NPD6516	Phase 2
0.7323	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD1548	Phase 1
0.7302	Intermediate Similarity	NPD1137	Approved
0.7302	Intermediate Similarity	NPD1139	Approved
0.7293	Intermediate Similarity	NPD3972	Approved
0.7292	Intermediate Similarity	NPD4110	Phase 3
0.7292	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD6331	Phase 2
0.7288	Intermediate Similarity	NPD2860	Approved
0.7288	Intermediate Similarity	NPD2859	Approved
0.7287	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD3022	Approved
0.728	Intermediate Similarity	NPD3021	Approved
0.7273	Intermediate Similarity	NPD3026	Approved
0.7273	Intermediate Similarity	NPD3023	Approved
0.7273	Intermediate Similarity	NPD3496	Discontinued
0.7266	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD1613	Approved
0.7265	Intermediate Similarity	NPD845	Approved
0.7252	Intermediate Similarity	NPD3025	Approved
0.7252	Intermediate Similarity	NPD3024	Approved
0.7248	Intermediate Similarity	NPD7458	Discontinued
0.7246	Intermediate Similarity	NPD6798	Discontinued
0.7246	Intermediate Similarity	NPD1039	Discontinued
0.7244	Intermediate Similarity	NPD5535	Approved
0.7244	Intermediate Similarity	NPD821	Approved
0.7244	Intermediate Similarity	NPD2969	Approved
0.7244	Intermediate Similarity	NPD2970	Approved
0.7239	Intermediate Similarity	NPD6582	Phase 2
0.7239	Intermediate Similarity	NPD3685	Discontinued
0.7239	Intermediate Similarity	NPD6583	Phase 3
0.7234	Intermediate Similarity	NPD4536	Approved
0.7234	Intermediate Similarity	NPD4538	Approved
0.7234	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD7644	Approved
0.7218	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD2346	Discontinued
0.7203	Intermediate Similarity	NPD2934	Approved
0.7203	Intermediate Similarity	NPD2933	Approved
0.7197	Intermediate Similarity	NPD1751	Approved
0.7197	Intermediate Similarity	NPD27	Approved
0.7197	Intermediate Similarity	NPD2489	Approved
0.7197	Intermediate Similarity	NPD2286	Discontinued
0.7188	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD2155	Approved
0.7183	Intermediate Similarity	NPD2154	Approved
0.7183	Intermediate Similarity	NPD7742	Approved
0.7183	Intermediate Similarity	NPD2156	Approved
0.7183	Intermediate Similarity	NPD7743	Approved
0.7179	Intermediate Similarity	NPD3051	Approved
0.7177	Intermediate Similarity	NPD968	Approved
0.7177	Intermediate Similarity	NPD3134	Approved
0.7176	Intermediate Similarity	NPD7741	Discontinued
0.7172	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD4628	Phase 3
0.7171	Intermediate Similarity	NPD5929	Approved
0.7165	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD1840	Phase 2
0.7162	Intermediate Similarity	NPD4319	Phase 2
0.7162	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD6090	Discontinued
0.7143	Intermediate Similarity	NPD3847	Discontinued
0.7143	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD2935	Discontinued
0.7132	Intermediate Similarity	NPD497	Approved
0.7132	Intermediate Similarity	NPD2797	Approved
0.7123	Intermediate Similarity	NPD5241	Discontinued
0.7123	Intermediate Similarity	NPD2677	Approved
0.7122	Intermediate Similarity	NPD7985	Registered
0.7122	Intermediate Similarity	NPD5110	Phase 2
0.7122	Intermediate Similarity	NPD5109	Approved
0.7122	Intermediate Similarity	NPD5111	Phase 2
0.7121	Intermediate Similarity	NPD4093	Discontinued
0.7114	Intermediate Similarity	NPD4727	Phase 1
0.7113	Intermediate Similarity	NPD7097	Phase 1
0.7111	Intermediate Similarity	NPD4359	Approved
0.7105	Intermediate Similarity	NPD37	Approved
0.7103	Intermediate Similarity	NPD5177	Phase 3
0.7097	Intermediate Similarity	NPD5709	Phase 3
0.7095	Intermediate Similarity	NPD7020	Approved
0.7095	Intermediate Similarity	NPD7019	Approved
0.7095	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5124	Phase 1
0.7092	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD3705	Approved
0.7086	Intermediate Similarity	NPD7028	Phase 2
0.708	Intermediate Similarity	NPD2798	Approved
0.7078	Intermediate Similarity	NPD4581	Clinical (unspecified phase)

Structure

CID152946 OpenBabel06191715522D 21 23 0 0 1 0 0 0 0 0999 V2000 4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 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 -0.8660 -1.5000 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 -2.0000 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 2.5981 -1.5000 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 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 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 -0.0000 -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 2 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 20 1 1 0 0 0 19 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	76317304
ChEMBL	CHEMBL3103099
ZINC

Physicochemical Properties

Molecular Weight:	286.19
ALogP:	1.5066
MLogP:	3.33
XLogP:	4.992
# Rotatable Bonds:	7
Polar Surface Area:	29.46
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	21

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