NPASS Natural Product

Natural Product: NPC471186

Natural Product ID:	NPC471186
Common Name:	16-Hydroxy-8,11,13-Abietatrien-3-One
IUPAC Name:	(4aS,10aR)-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Synonyms:
Molecular Formula:	C20H28O2
Standard InCHIKey:	HUWUBAYNISTFSX-DXCGCXGXSA-N
Standard InCHI:	InChI=1S/C20H28O2/c1-13(12-21)14-5-7-16-15(11-14)6-8-17-19(2,3)18(22)9-10-20(16,17)4/h5,7,11,13,17,21H,6,8-10,12H2,1-4H3/t13?,17-,20+/m0/s1
Canonical SMILES:	OCC(c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC(=O)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
NPO32493	euonymus lutchuensis	Species	Celastraceae	Eukaryota				PMID[23755851]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	<	5	ug/ml	26034885
NPT168	Cell Line	P388	Mus musculus	IC50	<	5	ug/ml	15387655
NPT116	Cell Line	HL-60	Homo sapiens	IC50	<	5	ug/ml	18710917

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 NPC471186 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	145
0.1-0.2	737
0.2-0.3	1325
0.3-0.4	3753
0.4-0.5	8732
0.5-0.6	12502
0.6-0.7	3199
0.7-0.8	421
0.8-0.85	48
0.85-0.9	19
0.9-0.95	6
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.95	High Similarity	NPC142326
0.95	High Similarity	NPC94751
0.9417	High Similarity	NPC471188
0.9417	High Similarity	NPC471189
0.9135	High Similarity	NPC265513
0.9	High Similarity	NPC133809
0.9	High Similarity	NPC128248
0.9	High Similarity	NPC136810
0.8812	High Similarity	NPC225079
0.8807	High Similarity	NPC212891
0.8796	High Similarity	NPC215419
0.8785	High Similarity	NPC470253
0.8774	High Similarity	NPC95126
0.8774	High Similarity	NPC475002
0.8763	High Similarity	NPC220596
0.8739	High Similarity	NPC476645
0.8713	High Similarity	NPC221825
0.8641	High Similarity	NPC19856
0.8624	High Similarity	NPC221275
0.8559	High Similarity	NPC80605
0.8559	High Similarity	NPC45794
0.8559	High Similarity	NPC222968
0.8559	High Similarity	NPC323440
0.8557	High Similarity	NPC298115
0.8532	High Similarity	NPC471721
0.8515	High Similarity	NPC324602
0.8515	High Similarity	NPC226041
0.8496	Intermediate Similarity	NPC234337
0.8496	Intermediate Similarity	NPC183339
0.8496	Intermediate Similarity	NPC133389
0.8491	Intermediate Similarity	NPC112903
0.844	Intermediate Similarity	NPC143768
0.844	Intermediate Similarity	NPC93287
0.8396	Intermediate Similarity	NPC83409
0.8396	Intermediate Similarity	NPC185763
0.8384	Intermediate Similarity	NPC125226
0.8381	Intermediate Similarity	NPC56168
0.8378	Intermediate Similarity	NPC9274
0.8348	Intermediate Similarity	NPC293831
0.8348	Intermediate Similarity	NPC369
0.8319	Intermediate Similarity	NPC318173
0.8318	Intermediate Similarity	NPC27252
0.8318	Intermediate Similarity	NPC472979
0.8318	Intermediate Similarity	NPC21929
0.8302	Intermediate Similarity	NPC243601
0.8286	Intermediate Similarity	NPC247976
0.8261	Intermediate Similarity	NPC472981
0.8246	Intermediate Similarity	NPC202015
0.8241	Intermediate Similarity	NPC149455
0.8241	Intermediate Similarity	NPC64642
0.8241	Intermediate Similarity	NPC472982
0.8205	Intermediate Similarity	NPC471187
0.8198	Intermediate Similarity	NPC196673
0.8182	Intermediate Similarity	NPC280789
0.8148	Intermediate Similarity	NPC472980
0.8142	Intermediate Similarity	NPC242764
0.8142	Intermediate Similarity	NPC105141
0.8136	Intermediate Similarity	NPC181334
0.8083	Intermediate Similarity	NPC478165
0.8083	Intermediate Similarity	NPC478162
0.8058	Intermediate Similarity	NPC219573
0.8058	Intermediate Similarity	NPC185208
0.8056	Intermediate Similarity	NPC100767
0.8051	Intermediate Similarity	NPC198014
0.8051	Intermediate Similarity	NPC85511
0.8051	Intermediate Similarity	NPC328107
0.8036	Intermediate Similarity	NPC326664
0.8034	Intermediate Similarity	NPC269923
0.8034	Intermediate Similarity	NPC167323
0.802	Intermediate Similarity	NPC141607
0.802	Intermediate Similarity	NPC187725
0.8018	Intermediate Similarity	NPC292834
0.8018	Intermediate Similarity	NPC186128
0.8	Intermediate Similarity	NPC253681
0.8	Intermediate Similarity	NPC254233
0.7982	Intermediate Similarity	NPC469843
0.7981	Intermediate Similarity	NPC239185
0.7966	Intermediate Similarity	NPC11250
0.7965	Intermediate Similarity	NPC93181
0.7961	Intermediate Similarity	NPC172925
0.7949	Intermediate Similarity	NPC32322
0.7949	Intermediate Similarity	NPC259703
0.7946	Intermediate Similarity	NPC469547
0.7944	Intermediate Similarity	NPC329556
0.7934	Intermediate Similarity	NPC115797
0.7934	Intermediate Similarity	NPC51448
0.7928	Intermediate Similarity	NPC474057
0.7925	Intermediate Similarity	NPC469481
0.7925	Intermediate Similarity	NPC264728
0.7925	Intermediate Similarity	NPC476993
0.7921	Intermediate Similarity	NPC70940
0.7921	Intermediate Similarity	NPC274455
0.7921	Intermediate Similarity	NPC86670
0.7917	Intermediate Similarity	NPC87985
0.7909	Intermediate Similarity	NPC475006
0.7905	Intermediate Similarity	NPC134882
0.789	Intermediate Similarity	NPC37914
0.789	Intermediate Similarity	NPC244933
0.789	Intermediate Similarity	NPC85560
0.7881	Intermediate Similarity	NPC253627
0.7863	Intermediate Similarity	NPC472679
0.7863	Intermediate Similarity	NPC318552
0.7863	Intermediate Similarity	NPC472680
0.7863	Intermediate Similarity	NPC190501
0.7857	Intermediate Similarity	NPC218855
0.783	Intermediate Similarity	NPC476042
0.7823	Intermediate Similarity	NPC476847
0.7815	Intermediate Similarity	NPC273336
0.7815	Intermediate Similarity	NPC176208
0.7815	Intermediate Similarity	NPC182333
0.781	Intermediate Similarity	NPC265220
0.781	Intermediate Similarity	NPC289201
0.7798	Intermediate Similarity	NPC172483
0.7798	Intermediate Similarity	NPC134120
0.7798	Intermediate Similarity	NPC474307
0.7797	Intermediate Similarity	NPC476234
0.7788	Intermediate Similarity	NPC206764
0.7787	Intermediate Similarity	NPC30491
0.7787	Intermediate Similarity	NPC262936
0.7778	Intermediate Similarity	NPC42657
0.7769	Intermediate Similarity	NPC137750
0.7768	Intermediate Similarity	NPC133308
0.7767	Intermediate Similarity	NPC323420
0.7757	Intermediate Similarity	NPC109514
0.775	Intermediate Similarity	NPC318067
0.775	Intermediate Similarity	NPC77691
0.7748	Intermediate Similarity	NPC470252
0.7736	Intermediate Similarity	NPC329387
0.7736	Intermediate Similarity	NPC75724
0.7736	Intermediate Similarity	NPC317280
0.7736	Intermediate Similarity	NPC120393
0.7731	Intermediate Similarity	NPC162935
0.7731	Intermediate Similarity	NPC249340
0.7731	Intermediate Similarity	NPC154696
0.7727	Intermediate Similarity	NPC193640
0.7727	Intermediate Similarity	NPC475905
0.7727	Intermediate Similarity	NPC25385
0.7723	Intermediate Similarity	NPC329064
0.7719	Intermediate Similarity	NPC234637
0.7719	Intermediate Similarity	NPC294458
0.7719	Intermediate Similarity	NPC67377
0.7719	Intermediate Similarity	NPC130591
0.7714	Intermediate Similarity	NPC469893
0.7712	Intermediate Similarity	NPC238861
0.7712	Intermediate Similarity	NPC77000
0.7706	Intermediate Similarity	NPC329282
0.7706	Intermediate Similarity	NPC472222
0.7706	Intermediate Similarity	NPC472221
0.7705	Intermediate Similarity	NPC71610
0.7699	Intermediate Similarity	NPC66208
0.768	Intermediate Similarity	NPC471851
0.7672	Intermediate Similarity	NPC469663
0.7672	Intermediate Similarity	NPC472862
0.7672	Intermediate Similarity	NPC92
0.767	Intermediate Similarity	NPC86987
0.7667	Intermediate Similarity	NPC121168
0.7658	Intermediate Similarity	NPC470007
0.7652	Intermediate Similarity	NPC474095
0.7652	Intermediate Similarity	NPC186933
0.7647	Intermediate Similarity	NPC241001
0.7647	Intermediate Similarity	NPC231591
0.7642	Intermediate Similarity	NPC469892
0.7642	Intermediate Similarity	NPC469890
0.7642	Intermediate Similarity	NPC469891
0.7632	Intermediate Similarity	NPC471481
0.7624	Intermediate Similarity	NPC322387
0.7619	Intermediate Similarity	NPC260233
0.7615	Intermediate Similarity	NPC274443
0.7603	Intermediate Similarity	NPC472681
0.7603	Intermediate Similarity	NPC307139
0.7596	Intermediate Similarity	NPC59677
0.7596	Intermediate Similarity	NPC128645
0.7596	Intermediate Similarity	NPC153885
0.7596	Intermediate Similarity	NPC314690
0.7593	Intermediate Similarity	NPC289117
0.7586	Intermediate Similarity	NPC35797
0.7586	Intermediate Similarity	NPC192948
0.757	Intermediate Similarity	NPC49994
0.7561	Intermediate Similarity	NPC5486
0.7559	Intermediate Similarity	NPC78307
0.7542	Intermediate Similarity	NPC472698
0.7542	Intermediate Similarity	NPC472697
0.7524	Intermediate Similarity	NPC289883
0.7524	Intermediate Similarity	NPC238219
0.7523	Intermediate Similarity	NPC244427
0.7523	Intermediate Similarity	NPC222390
0.7521	Intermediate Similarity	NPC38893
0.7521	Intermediate Similarity	NPC308311
0.7521	Intermediate Similarity	NPC158157
0.7521	Intermediate Similarity	NPC477137
0.7521	Intermediate Similarity	NPC219112
0.752	Intermediate Similarity	NPC276238
0.752	Intermediate Similarity	NPC49272
0.752	Intermediate Similarity	NPC131684
0.752	Intermediate Similarity	NPC206028
0.75	Intermediate Similarity	NPC23894
0.75	Intermediate Similarity	NPC84672
0.75	Intermediate Similarity	NPC54647
0.75	Intermediate Similarity	NPC268160
0.75	Intermediate Similarity	NPC203732

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471186 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	154
0.1-0.2	771
0.2-0.3	1025
0.3-0.4	2596
0.4-0.5	2500
0.5-0.6	1588
0.6-0.7	454
0.7-0.8	69
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8257	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.8173	Intermediate Similarity	NPD2066	Phase 3
0.8125	Intermediate Similarity	NPD5951	Approved
0.8119	Intermediate Similarity	NPD1088	Approved
0.7981	Intermediate Similarity	NPD3495	Discontinued
0.7961	Intermediate Similarity	NPD1693	Approved
0.7961	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7944	Intermediate Similarity	NPD1930	Approved
0.7944	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7944	Intermediate Similarity	NPD1929	Approved
0.7921	Intermediate Similarity	NPD1090	Approved
0.7921	Intermediate Similarity	NPD1089	Approved
0.7921	Intermediate Similarity	NPD1086	Approved
0.7863	Intermediate Similarity	NPD3019	Approved
0.7822	Intermediate Similarity	NPD800	Approved
0.7788	Intermediate Similarity	NPD7094	Approved
0.7788	Intermediate Similarity	NPD6858	Approved
0.7778	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7759	Intermediate Similarity	NPD7610	Discontinued
0.7714	Intermediate Similarity	NPD1989	Approved
0.7712	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD2932	Approved
0.7712	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD1239	Approved
0.7652	Intermediate Similarity	NPD2629	Approved
0.7642	Intermediate Similarity	NPD1565	Approved
0.7642	Intermediate Similarity	NPD1566	Phase 3
0.7642	Intermediate Similarity	NPD1564	Approved
0.7624	Intermediate Similarity	NPD1087	Approved
0.7586	Intermediate Similarity	NPD3317	Approved
0.7542	Intermediate Similarity	NPD7009	Phase 2
0.752	Intermediate Similarity	NPD7008	Discontinued
0.752	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3023	Approved
0.75	Intermediate Similarity	NPD3026	Approved
0.7479	Intermediate Similarity	NPD3024	Approved
0.7479	Intermediate Similarity	NPD3025	Approved
0.7417	Intermediate Similarity	NPD4199	Phase 3
0.7364	Intermediate Similarity	NPD1932	Approved
0.7358	Intermediate Similarity	NPD1563	Approved
0.7355	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD5347	Phase 2
0.7308	Intermediate Similarity	NPD5346	Phase 2
0.7288	Intermediate Similarity	NPD4198	Discontinued
0.7281	Intermediate Similarity	NPD2329	Discontinued
0.7281	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD6663	Approved
0.7265	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD6010	Discontinued
0.7264	Intermediate Similarity	NPD7631	Approved
0.725	Intermediate Similarity	NPD3091	Approved
0.7238	Intermediate Similarity	NPD3673	Approved
0.7238	Intermediate Similarity	NPD3672	Approved
0.7232	Intermediate Similarity	NPD1237	Approved
0.7228	Intermediate Similarity	NPD9491	Approved
0.7222	Intermediate Similarity	NPD5736	Approved
0.7213	Intermediate Similarity	NPD4879	Approved
0.72	Intermediate Similarity	NPD226	Approved
0.717	Intermediate Similarity	NPD7609	Phase 3
0.7154	Intermediate Similarity	NPD5618	Discontinued
0.7132	Intermediate Similarity	NPD7714	Approved
0.7132	Intermediate Similarity	NPD7715	Approved
0.7132	Intermediate Similarity	NPD7961	Discontinued
0.7131	Intermediate Similarity	NPD3095	Discontinued
0.713	Intermediate Similarity	NPD6049	Phase 2
0.713	Intermediate Similarity	NPD6048	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD4793	Discontinued
0.7107	Intermediate Similarity	NPD7741	Discontinued
0.708	Intermediate Similarity	NPD5909	Discontinued
0.7049	Intermediate Similarity	NPD1651	Approved
0.7027	Intermediate Similarity	NPD7798	Approved
0.7016	Intermediate Similarity	NPD3092	Approved
0.6991	Remote Similarity	NPD6647	Phase 2
0.6991	Remote Similarity	NPD5765	Approved
0.6984	Remote Similarity	NPD1283	Approved
0.6964	Remote Similarity	NPD3135	Clinical (unspecified phase)
0.696	Remote Similarity	NPD4878	Approved
0.6957	Remote Similarity	NPD6685	Approved
0.6953	Remote Similarity	NPD7084	Phase 3
0.6952	Remote Similarity	NPD650	Approved
0.6937	Remote Similarity	NPD9495	Approved
0.6923	Remote Similarity	NPD3646	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD4766	Approved
0.6903	Remote Similarity	NPD4719	Phase 2
0.69	Remote Similarity	NPD227	Approved
0.69	Remote Similarity	NPD225	Approved
0.6897	Remote Similarity	NPD2342	Discontinued
0.6891	Remote Similarity	NPD7635	Approved
0.6887	Remote Similarity	NPD1101	Approved
0.6885	Remote Similarity	NPD6065	Approved
0.688	Remote Similarity	NPD1201	Approved
0.687	Remote Similarity	NPD5048	Discontinued
0.6866	Remote Similarity	NPD7305	Phase 1
0.6864	Remote Similarity	NPD3642	Approved
0.6864	Remote Similarity	NPD3643	Approved
0.6864	Remote Similarity	NPD3644	Approved
0.6861	Remote Similarity	NPD7003	Approved
0.6855	Remote Similarity	NPD2345	Approved
0.6855	Remote Similarity	NPD5125	Phase 3
0.6855	Remote Similarity	NPD7725	Approved
0.6855	Remote Similarity	NPD5126	Approved
0.6842	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD2650	Approved
0.6833	Remote Similarity	NPD2652	Approved
0.6832	Remote Similarity	NPD9490	Approved
0.6829	Remote Similarity	NPD4479	Discontinued
0.6818	Remote Similarity	NPD4814	Discontinued
0.6812	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD3094	Phase 2
0.6796	Remote Similarity	NPD3667	Approved
0.678	Remote Similarity	NPD1317	Discontinued
0.6763	Remote Similarity	NPD7236	Approved
0.6757	Remote Similarity	NPD5206	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD1281	Approved
0.6744	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD6085	Phase 2
0.6742	Remote Similarity	NPD8032	Phase 2
0.6739	Remote Similarity	NPD8166	Discontinued
0.6727	Remote Similarity	NPD3719	Approved
0.6727	Remote Similarity	NPD3718	Approved
0.6726	Remote Similarity	NPD3020	Approved
0.6724	Remote Similarity	NPD1018	Approved
0.6723	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.672	Remote Similarity	NPD5305	Approved
0.672	Remote Similarity	NPD5306	Approved
0.672	Remote Similarity	NPD4059	Approved
0.6696	Remote Similarity	NPD1875	Phase 1
0.6694	Remote Similarity	NPD2227	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD3880	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD4140	Approved
0.6667	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3772	Phase 3
0.6667	Remote Similarity	NPD6766	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1470	Approved
0.6667	Remote Similarity	NPD4094	Approved
0.6667	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4576	Approved
0.6667	Remote Similarity	NPD4786	Approved
0.6667	Remote Similarity	NPD4574	Approved
0.6643	Remote Similarity	NPD7239	Suspended
0.6641	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD5157	Phase 1
0.6641	Remote Similarity	NPD7055	Discontinued
0.6641	Remote Similarity	NPD5159	Phase 2
0.664	Remote Similarity	NPD5981	Approved
0.664	Remote Similarity	NPD6994	Approved
0.664	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.664	Remote Similarity	NPD6993	Approved
0.6639	Remote Similarity	NPD4233	Approved
0.6639	Remote Similarity	NPD1752	Approved
0.6639	Remote Similarity	NPD1756	Approved
0.6639	Remote Similarity	NPD4234	Approved
0.6636	Remote Similarity	NPD1508	Approved
0.662	Remote Similarity	NPD6273	Approved
0.6615	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD4807	Approved
0.6614	Remote Similarity	NPD2612	Approved
0.6614	Remote Similarity	NPD4216	Approved
0.6614	Remote Similarity	NPD3132	Approved
0.6614	Remote Similarity	NPD2610	Approved
0.6614	Remote Similarity	NPD2608	Approved
0.6614	Remote Similarity	NPD4806	Approved
0.6614	Remote Similarity	NPD4218	Approved
0.6614	Remote Similarity	NPD4217	Approved
0.6614	Remote Similarity	NPD2611	Approved
0.6614	Remote Similarity	NPD3131	Approved
0.6614	Remote Similarity	NPD6287	Discontinued
0.6614	Remote Similarity	NPD2609	Approved
0.6614	Remote Similarity	NPD4215	Approved
0.6612	Remote Similarity	NPD2607	Approved
0.6604	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD1507	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD8165	Discontinued
0.6577	Remote Similarity	NPD1409	Phase 3
0.6577	Remote Similarity	NPD719	Approved
0.6577	Remote Similarity	NPD845	Approved
0.6577	Remote Similarity	NPD720	Approved
0.6571	Remote Similarity	NPD3971	Phase 1
0.6567	Remote Similarity	NPD2979	Phase 3
0.6562	Remote Similarity	NPD3972	Approved
0.6555	Remote Similarity	NPD2182	Approved
0.6549	Remote Similarity	NPD4657	Approved
0.6549	Remote Similarity	NPD4655	Approved
0.6538	Remote Similarity	NPD6564	Approved
0.6538	Remote Similarity	NPD6565	Approved
0.6538	Remote Similarity	NPD6563	Approved
0.6538	Remote Similarity	NPD942	Approved
0.6535	Remote Similarity	NPD4135	Approved
0.6535	Remote Similarity	NPD4106	Approved
0.6535	Remote Similarity	NPD4136	Approved
0.6535	Remote Similarity	NPD3881	Discontinued
0.6532	Remote Similarity	NPD3797	Approved
0.6529	Remote Similarity	NPD6912	Phase 3
0.6525	Remote Similarity	NPD5705	Approved
0.6525	Remote Similarity	NPD5706	Approved
0.6525	Remote Similarity	NPD5704	Approved
0.6522	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD3665	Phase 1

Structure

NPC471186 OpenBabel07101718202D 22 24 0 0 1 0 0 0 0 0999 V2000 4.3301 -4.5000 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 2.5981 -3.5000 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 -3.0000 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 -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 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 0.0000 C 0 0 3 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 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 0 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 1 0 0 0 0 0 0 0 0 0 6.0622 -3.5000 0.0000 O 0 0 0 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 1 13 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 5 7 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 20 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	71726322
ChEMBL	CHEMBL2386521
ZINC

Physicochemical Properties

Molecular Weight:	300.21
ALogP:	0.8916
MLogP:	3.44
XLogP:	5.35
# Rotatable Bonds:	7
Polar Surface Area:	37.3
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	22

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