NPASS Natural Product

Natural Product: NPC472981

Natural Product ID:	NPC472981
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H26O3
Standard InCHIKey:	FHLOUTGWMLTHOH-XLIONFOSSA-N
Standard InCHI:	InChI=1S/C20H26O3/c1-18(2)16-11-15(21)13-10-12(19(3,4)23)6-7-14(13)20(16,5)9-8-17(18)22/h6-7,10-11,17,22-23H,8-9H2,1-5H3/t17-,20+/m1/s1
Canonical SMILES:	O[C@@H]1CC[C@@]2(C(=CC(=O)c3c2ccc(c3)C(O)(C)C)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
NPO32900	chloranthus sessilifolius	Species	Chloranthaceae	Eukaryota	Whole Plants	Fengqi Mountains, Sichuan Province, China	2012-AUG	PMID[26126961]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	>	100000	nM	Open TG-GATES in vivo data: Biochemistry

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 NPC472981 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	172
0.1-0.2	940
0.2-0.3	1414
0.3-0.4	3611
0.4-0.5	7509
0.5-0.6	9650
0.6-0.7	6186
0.7-0.8	1305
0.8-0.85	77
0.85-0.9	25
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8824	High Similarity	NPC476645
0.8793	High Similarity	NPC196673
0.8783	High Similarity	NPC471188
0.877	High Similarity	NPC85511
0.876	High Similarity	NPC269923
0.876	High Similarity	NPC167323
0.8696	High Similarity	NPC265513
0.8696	High Similarity	NPC474057
0.864	High Similarity	NPC51448
0.864	High Similarity	NPC115797
0.8607	High Similarity	NPC369
0.8607	High Similarity	NPC293831
0.8605	High Similarity	NPC23894
0.8595	High Similarity	NPC183339
0.8595	High Similarity	NPC234337
0.8595	High Similarity	NPC133389
0.856	High Similarity	NPC254492
0.8559	High Similarity	NPC186933
0.8547	High Similarity	NPC470253
0.8527	High Similarity	NPC310662
0.8527	High Similarity	NPC78307
0.8516	High Similarity	NPC471851
0.85	High Similarity	NPC80605
0.85	High Similarity	NPC323440
0.85	High Similarity	NPC222968
0.8492	Intermediate Similarity	NPC72667
0.8462	Intermediate Similarity	NPC202225
0.8435	Intermediate Similarity	NPC211439
0.8435	Intermediate Similarity	NPC472980
0.8403	Intermediate Similarity	NPC93181
0.8403	Intermediate Similarity	NPC215419
0.839	Intermediate Similarity	NPC143768
0.8359	Intermediate Similarity	NPC262819
0.8359	Intermediate Similarity	NPC171460
0.8346	Intermediate Similarity	NPC84672
0.8346	Intermediate Similarity	NPC78364
0.8346	Intermediate Similarity	NPC69424
0.8346	Intermediate Similarity	NPC176130
0.8321	Intermediate Similarity	NPC474659
0.8305	Intermediate Similarity	NPC471189
0.8295	Intermediate Similarity	NPC108129
0.8281	Intermediate Similarity	NPC3009
0.8281	Intermediate Similarity	NPC96024
0.8279	Intermediate Similarity	NPC318173
0.8276	Intermediate Similarity	NPC472979
0.8276	Intermediate Similarity	NPC27252
0.8271	Intermediate Similarity	NPC475957
0.8268	Intermediate Similarity	NPC253681
0.8264	Intermediate Similarity	NPC212891
0.8261	Intermediate Similarity	NPC471186
0.8254	Intermediate Similarity	NPC199273
0.825	Intermediate Similarity	NPC274839
0.825	Intermediate Similarity	NPC474095
0.8246	Intermediate Similarity	NPC247976
0.8244	Intermediate Similarity	NPC477139
0.8231	Intermediate Similarity	NPC476847
0.822	Intermediate Similarity	NPC95126
0.822	Intermediate Similarity	NPC475002
0.8217	Intermediate Similarity	NPC303910
0.8217	Intermediate Similarity	NPC276238
0.8203	Intermediate Similarity	NPC478165
0.8203	Intermediate Similarity	NPC478162
0.8189	Intermediate Similarity	NPC275576
0.8167	Intermediate Similarity	NPC471721
0.8151	Intermediate Similarity	NPC292834
0.8151	Intermediate Similarity	NPC66208
0.8145	Intermediate Similarity	NPC238861
0.8145	Intermediate Similarity	NPC77000
0.8125	Intermediate Similarity	NPC470753
0.8125	Intermediate Similarity	NPC473220
0.8125	Intermediate Similarity	NPC474106
0.8125	Intermediate Similarity	NPC71610
0.8125	Intermediate Similarity	NPC169913
0.812	Intermediate Similarity	NPC112903
0.8115	Intermediate Similarity	NPC158157
0.811	Intermediate Similarity	NPC295664
0.8106	Intermediate Similarity	NPC138472
0.8106	Intermediate Similarity	NPC126516
0.8103	Intermediate Similarity	NPC243601
0.8099	Intermediate Similarity	NPC228936
0.8095	Intermediate Similarity	NPC282577
0.8095	Intermediate Similarity	NPC65627
0.8087	Intermediate Similarity	NPC19856
0.8083	Intermediate Similarity	NPC93287
0.8077	Intermediate Similarity	NPC117899
0.8067	Intermediate Similarity	NPC133308
0.8065	Intermediate Similarity	NPC473767
0.8065	Intermediate Similarity	NPC472708
0.8058	Intermediate Similarity	NPC478160
0.8051	Intermediate Similarity	NPC318327
0.8051	Intermediate Similarity	NPC149455
0.8051	Intermediate Similarity	NPC64642
0.8051	Intermediate Similarity	NPC472982
0.8047	Intermediate Similarity	NPC470765
0.8047	Intermediate Similarity	NPC123506
0.8034	Intermediate Similarity	NPC100767
0.8031	Intermediate Similarity	NPC328107
0.8017	Intermediate Similarity	NPC326664
0.8017	Intermediate Similarity	NPC249067
0.8016	Intermediate Similarity	NPC154696
0.8	Intermediate Similarity	NPC232958
0.8	Intermediate Similarity	NPC193203
0.7971	Intermediate Similarity	NPC308572
0.7971	Intermediate Similarity	NPC477209
0.7971	Intermediate Similarity	NPC248068
0.797	Intermediate Similarity	NPC329913
0.797	Intermediate Similarity	NPC111845
0.797	Intermediate Similarity	NPC203486
0.7969	Intermediate Similarity	NPC181334
0.7967	Intermediate Similarity	NPC469843
0.7956	Intermediate Similarity	NPC471853
0.7955	Intermediate Similarity	NPC18798
0.7955	Intermediate Similarity	NPC93015
0.7951	Intermediate Similarity	NPC221275
0.7949	Intermediate Similarity	NPC172483
0.7937	Intermediate Similarity	NPC32322
0.7937	Intermediate Similarity	NPC476234
0.7937	Intermediate Similarity	NPC259703
0.7937	Intermediate Similarity	NPC144547
0.7934	Intermediate Similarity	NPC13784
0.7926	Intermediate Similarity	NPC474311
0.7926	Intermediate Similarity	NPC471670
0.792	Intermediate Similarity	NPC204784
0.792	Intermediate Similarity	NPC202015
0.7914	Intermediate Similarity	NPC478164
0.791	Intermediate Similarity	NPC477896
0.791	Intermediate Similarity	NPC477893
0.7907	Intermediate Similarity	NPC137750
0.7903	Intermediate Similarity	NPC174087
0.7903	Intermediate Similarity	NPC45794
0.7891	Intermediate Similarity	NPC472681
0.7891	Intermediate Similarity	NPC228739
0.7891	Intermediate Similarity	NPC140118
0.7891	Intermediate Similarity	NPC471187
0.7891	Intermediate Similarity	NPC51079
0.7891	Intermediate Similarity	NPC12881
0.7886	Intermediate Similarity	NPC135730
0.7886	Intermediate Similarity	NPC226093
0.7881	Intermediate Similarity	NPC83409
0.7881	Intermediate Similarity	NPC185763
0.7881	Intermediate Similarity	NPC142326
0.7881	Intermediate Similarity	NPC94751
0.7879	Intermediate Similarity	NPC72915
0.7869	Intermediate Similarity	NPC196075
0.7868	Intermediate Similarity	NPC36868
0.7868	Intermediate Similarity	NPC477592
0.7863	Intermediate Similarity	NPC229894
0.7857	Intermediate Similarity	NPC988
0.7857	Intermediate Similarity	NPC289432
0.7857	Intermediate Similarity	NPC133302
0.7852	Intermediate Similarity	NPC153088
0.7852	Intermediate Similarity	NPC472374
0.7852	Intermediate Similarity	NPC472372
0.7851	Intermediate Similarity	NPC218855
0.7851	Intermediate Similarity	NPC186128
0.7851	Intermediate Similarity	NPC280789
0.7845	Intermediate Similarity	NPC25458
0.784	Intermediate Similarity	NPC249435
0.7836	Intermediate Similarity	NPC52407
0.7836	Intermediate Similarity	NPC114183
0.7829	Intermediate Similarity	NPC68756
0.7829	Intermediate Similarity	NPC152525
0.7829	Intermediate Similarity	NPC164014
0.782	Intermediate Similarity	NPC239134
0.7815	Intermediate Similarity	NPC249811
0.7812	Intermediate Similarity	NPC223351
0.7812	Intermediate Similarity	NPC176208
0.781	Intermediate Similarity	NPC476643
0.781	Intermediate Similarity	NPC230811
0.7807	Intermediate Similarity	NPC289201
0.7807	Intermediate Similarity	NPC239185
0.7805	Intermediate Similarity	NPC476357
0.7803	Intermediate Similarity	NPC49272
0.7803	Intermediate Similarity	NPC82712
0.7797	Intermediate Similarity	NPC105899
0.7797	Intermediate Similarity	NPC134120
0.7795	Intermediate Similarity	NPC216216
0.7794	Intermediate Similarity	NPC315275
0.7794	Intermediate Similarity	NPC39549
0.7778	Intermediate Similarity	NPC255676
0.7778	Intermediate Similarity	NPC50924
0.7778	Intermediate Similarity	NPC274443
0.7778	Intermediate Similarity	NPC270899
0.7778	Intermediate Similarity	NPC12070
0.777	Intermediate Similarity	NPC477894
0.7769	Intermediate Similarity	NPC87985
0.7769	Intermediate Similarity	NPC478107
0.7769	Intermediate Similarity	NPC294050
0.7769	Intermediate Similarity	NPC328997
0.7769	Intermediate Similarity	NPC470649
0.7761	Intermediate Similarity	NPC165612
0.7759	Intermediate Similarity	NPC469481
0.7754	Intermediate Similarity	NPC470407
0.7752	Intermediate Similarity	NPC174991
0.7752	Intermediate Similarity	NPC198014
0.7752	Intermediate Similarity	NPC273683
0.7752	Intermediate Similarity	NPC77691
0.7752	Intermediate Similarity	NPC318067
0.7746	Intermediate Similarity	NPC136878
0.7744	Intermediate Similarity	NPC27659

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472981 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	189
0.1-0.2	873
0.2-0.3	1089
0.3-0.4	2425
0.4-0.5	2489
0.5-0.6	1567
0.6-0.7	459
0.7-0.8	63
0.8-0.85	6
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8559	High Similarity	NPD5951	Approved
0.8376	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.8293	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.8145	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD7008	Discontinued
0.8051	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.8017	Intermediate Similarity	NPD1237	Approved
0.7939	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7807	Intermediate Similarity	NPD3495	Discontinued
0.7786	Intermediate Similarity	NPD7236	Approved
0.7778	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7705	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD7239	Suspended
0.7627	Intermediate Similarity	NPD1929	Approved
0.7627	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD1930	Approved
0.7619	Intermediate Similarity	NPD7610	Discontinued
0.7578	Intermediate Similarity	NPD2932	Approved
0.7559	Intermediate Similarity	NPD7009	Phase 2
0.7538	Intermediate Similarity	NPD4878	Approved
0.7521	Intermediate Similarity	NPD2066	Phase 3
0.752	Intermediate Similarity	NPD2629	Approved
0.7519	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7479	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD3317	Approved
0.7442	Intermediate Similarity	NPD3019	Approved
0.744	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD3972	Approved
0.7394	Intermediate Similarity	NPD7003	Approved
0.7348	Intermediate Similarity	NPD5157	Phase 1
0.7348	Intermediate Similarity	NPD5159	Phase 2
0.7348	Intermediate Similarity	NPD5158	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD1201	Approved
0.7286	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4628	Phase 3
0.725	Intermediate Similarity	NPD1932	Approved
0.7239	Intermediate Similarity	NPD1470	Approved
0.723	Intermediate Similarity	NPD7458	Discontinued
0.7217	Intermediate Similarity	NPD7609	Phase 3
0.7185	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD7057	Phase 3
0.7171	Intermediate Similarity	NPD7058	Phase 2
0.7165	Intermediate Similarity	NPD6010	Discontinued
0.7155	Intermediate Similarity	NPD7631	Approved
0.7132	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD4879	Approved
0.7113	Intermediate Similarity	NPD5406	Approved
0.7113	Intermediate Similarity	NPD5405	Approved
0.7113	Intermediate Similarity	NPD5404	Approved
0.7113	Intermediate Similarity	NPD5408	Approved
0.7087	Intermediate Similarity	NPD6858	Approved
0.7087	Intermediate Similarity	NPD7094	Approved
0.7068	Intermediate Similarity	NPD6287	Discontinued
0.7059	Intermediate Similarity	NPD4980	Approved
0.7054	Intermediate Similarity	NPD4198	Discontinued
0.705	Intermediate Similarity	NPD7715	Approved
0.705	Intermediate Similarity	NPD7961	Discontinued
0.705	Intermediate Similarity	NPD6663	Approved
0.705	Intermediate Similarity	NPD7714	Approved
0.704	Intermediate Similarity	NPD2182	Approved
0.704	Intermediate Similarity	NPD2329	Discontinued
0.7034	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD6273	Approved
0.7023	Intermediate Similarity	NPD3091	Approved
0.7018	Intermediate Similarity	NPD650	Approved
0.7009	Intermediate Similarity	NPD1088	Approved
0.7007	Intermediate Similarity	NPD5736	Approved
0.7007	Intermediate Similarity	NPD7390	Discontinued
0.7	Intermediate Similarity	NPD9495	Approved
0.6992	Remote Similarity	NPD3023	Approved
0.6992	Remote Similarity	NPD3026	Approved
0.6983	Remote Similarity	NPD9256	Approved
0.6983	Remote Similarity	NPD9258	Approved
0.697	Remote Similarity	NPD3025	Approved
0.697	Remote Similarity	NPD3024	Approved
0.6966	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD182	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD2346	Discontinued
0.6929	Remote Similarity	NPD7713	Phase 3
0.6923	Remote Similarity	NPD7305	Phase 1
0.6918	Remote Similarity	NPD8166	Discontinued
0.6911	Remote Similarity	NPD6647	Phase 2
0.6906	Remote Similarity	NPD6966	Discovery
0.6901	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD7741	Discontinued
0.6891	Remote Similarity	NPD1693	Approved
0.6887	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7799	Discontinued
0.6861	Remote Similarity	NPD1164	Approved
0.6857	Remote Similarity	NPD3764	Approved
0.6855	Remote Similarity	NPD164	Approved
0.6846	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1651	Approved
0.6838	Remote Similarity	NPD1086	Approved
0.6838	Remote Similarity	NPD1089	Approved
0.6838	Remote Similarity	NPD1090	Approved
0.6833	Remote Similarity	NPD1989	Approved
0.6824	Remote Similarity	NPD3300	Phase 2
0.6815	Remote Similarity	NPD3092	Approved
0.6812	Remote Similarity	NPD2798	Approved
0.6807	Remote Similarity	NPD1202	Approved
0.6806	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD1238	Approved
0.68	Remote Similarity	NPD5048	Discontinued
0.6791	Remote Similarity	NPD3095	Discontinued
0.6788	Remote Similarity	NPD1283	Approved
0.6788	Remote Similarity	NPD1876	Approved
0.6783	Remote Similarity	NPD1607	Approved
0.678	Remote Similarity	NPD1239	Approved
0.6779	Remote Similarity	NPD8165	Discontinued
0.6767	Remote Similarity	NPD9545	Approved
0.6752	Remote Similarity	NPD800	Approved
0.675	Remote Similarity	NPD6048	Clinical (unspecified phase)
0.675	Remote Similarity	NPD6049	Phase 2
0.6732	Remote Similarity	NPD4380	Phase 2
0.672	Remote Similarity	NPD5909	Discontinued
0.671	Remote Similarity	NPD7819	Suspended
0.6693	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD2342	Discontinued
0.6692	Remote Similarity	NPD7635	Approved
0.669	Remote Similarity	NPD1510	Phase 2
0.669	Remote Similarity	NPD2799	Discontinued
0.6667	Remote Similarity	NPD5305	Approved
0.6667	Remote Similarity	NPD4626	Approved
0.6667	Remote Similarity	NPD3226	Approved
0.6667	Remote Similarity	NPD7725	Approved
0.6667	Remote Similarity	NPD2345	Approved
0.6667	Remote Similarity	NPD5125	Phase 3
0.6667	Remote Similarity	NPD5306	Approved
0.6667	Remote Similarity	NPD5126	Approved
0.6644	Remote Similarity	NPD2796	Approved
0.6644	Remote Similarity	NPD6100	Approved
0.6644	Remote Similarity	NPD6099	Approved
0.6644	Remote Similarity	NPD2935	Discontinued
0.6644	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD1240	Approved
0.6642	Remote Similarity	NPD2227	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD1566	Phase 3
0.6639	Remote Similarity	NPD1565	Approved
0.6639	Remote Similarity	NPD1564	Approved
0.6638	Remote Similarity	NPD9259	Approved
0.6638	Remote Similarity	NPD9257	Approved
0.6626	Remote Similarity	NPD5844	Phase 1
0.6623	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.662	Remote Similarity	NPD2313	Discontinued
0.6619	Remote Similarity	NPD3094	Phase 2
0.6618	Remote Similarity	NPD4136	Approved
0.6618	Remote Similarity	NPD4135	Approved
0.6618	Remote Similarity	NPD4106	Approved
0.6615	Remote Similarity	NPD9508	Approved
0.6606	Remote Similarity	NPD8368	Discontinued
0.6599	Remote Similarity	NPD2344	Approved
0.6599	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD1755	Approved
0.6591	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6589	Remote Similarity	NPD1317	Discontinued
0.6581	Remote Similarity	NPD1087	Approved
0.6577	Remote Similarity	NPD3750	Approved
0.6575	Remote Similarity	NPD4308	Phase 3
0.6571	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6085	Phase 2
0.6569	Remote Similarity	NPD4806	Approved
0.6569	Remote Similarity	NPD1281	Approved
0.6569	Remote Similarity	NPD4807	Approved
0.6569	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6565	Remote Similarity	NPD5277	Phase 2
0.6562	Remote Similarity	NPD6959	Discontinued
0.6561	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD1809	Phase 2
0.6554	Remote Similarity	NPD1549	Phase 2
0.6544	Remote Similarity	NPD4059	Approved
0.6532	Remote Similarity	NPD3020	Approved
0.6528	Remote Similarity	NPD4445	Approved
0.6528	Remote Similarity	NPD4453	Approved
0.6528	Remote Similarity	NPD4452	Approved
0.6528	Remote Similarity	NPD943	Approved
0.6525	Remote Similarity	NPD7084	Phase 3
0.6525	Remote Similarity	NPD4208	Discontinued
0.6516	Remote Similarity	NPD6599	Discontinued
0.6515	Remote Similarity	NPD1241	Discontinued
0.6513	Remote Similarity	NPD2533	Approved
0.6513	Remote Similarity	NPD2534	Approved
0.6513	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD2532	Approved
0.6509	Remote Similarity	NPD8434	Phase 2
0.6509	Remote Similarity	NPD8150	Discontinued
0.65	Remote Similarity	NPD6079	Approved
0.6497	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD5760	Phase 2
0.6497	Remote Similarity	NPD5761	Phase 2
0.6497	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD9493	Approved
0.6491	Remote Similarity	NPD942	Approved
0.6488	Remote Similarity	NPD8407	Phase 2

Structure

NPC472981 OpenBabel07101718292D 23 25 0 0 1 0 0 0 0 0999 V2000 -0.2588 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -1.1340 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 4.3301 -0.5000 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 0.8660 1.5000 0.0000 C 0 0 0 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 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 4.3301 -1.5000 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 2.5981 -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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 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 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 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 5.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 19 23 1 0 0 0 0 20 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3594345
ZINC

Physicochemical Properties

Molecular Weight:	314.19
ALogP:	0.4856
MLogP:	3.33
XLogP:	2.779
# Rotatable Bonds:	8
Polar Surface Area:	57.53
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs