NPASS Natural Product

Natural Product: NPC472567

Natural Product ID:	NPC472567
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C22H26O6
Standard InCHIKey:	CQNGAOQBIJRCEA-DRCSMZGFSA-N
Standard InCHI:	InChI=1S/C22H26O6/c1-6-7-21-11-22(18(10-17(21)23)27-12-28-22)13(2)19(21)14-8-15(24-3)20(26-5)16(9-14)25-4/h6,8-10,13,19H,1,7,11-12H2,2-5H3/t13-,19-,21+,22-/m1/s1
Canonical SMILES:	COc1cc(cc(c1OC)OC)[C@H]1[C@@H](C)[C@@]23C[C@@]1(CC=C)C(=O)C=C3OCO2
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
NPO33212	ocotea cymosa	Species	Lauraceae	Eukaryota	stems or bark	Zahamena National Park, 17°28'45?S, 048°44'10?E, Madagascar	2000-JAN	PMID[25650896]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	40500	nM	21546135
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	7700	nM	17346076

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 NPC472567 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	327
0.1-0.2	1231
0.2-0.3	2123
0.3-0.4	5132
0.4-0.5	7961
0.5-0.6	3600
0.6-0.7	7160
0.7-0.8	3219
0.8-0.85	114
0.85-0.9	17
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.986	High Similarity	NPC163002
0.94	High Similarity	NPC472565
0.9329	High Similarity	NPC476363
0.9301	High Similarity	NPC472564
0.9085	High Similarity	NPC476337
0.898	High Similarity	NPC476362
0.8867	High Similarity	NPC475170
0.8851	High Similarity	NPC472560
0.8797	High Similarity	NPC476277
0.8758	High Similarity	NPC476364
0.8667	High Similarity	NPC25496
0.8627	High Similarity	NPC476335
0.8608	High Similarity	NPC476244
0.8591	High Similarity	NPC15743
0.8581	High Similarity	NPC210354
0.8581	High Similarity	NPC176586
0.8543	High Similarity	NPC476336
0.8535	High Similarity	NPC475095
0.8533	High Similarity	NPC474158
0.8523	High Similarity	NPC474966
0.8523	High Similarity	NPC474288
0.8514	High Similarity	NPC51681
0.8467	Intermediate Similarity	NPC191158
0.8467	Intermediate Similarity	NPC177644
0.8467	Intermediate Similarity	NPC475000
0.8467	Intermediate Similarity	NPC50696
0.8456	Intermediate Similarity	NPC46180
0.8456	Intermediate Similarity	NPC40237
0.8456	Intermediate Similarity	NPC151423
0.8435	Intermediate Similarity	NPC166184
0.8387	Intermediate Similarity	NPC220577
0.838	Intermediate Similarity	NPC64948
0.8366	Intermediate Similarity	NPC40654
0.8366	Intermediate Similarity	NPC262804
0.8356	Intermediate Similarity	NPC145769
0.8355	Intermediate Similarity	NPC87295
0.8355	Intermediate Similarity	NPC193779
0.8355	Intermediate Similarity	NPC224687
0.8355	Intermediate Similarity	NPC296575
0.8354	Intermediate Similarity	NPC474990
0.8354	Intermediate Similarity	NPC476340
0.8344	Intermediate Similarity	NPC188962
0.8344	Intermediate Similarity	NPC42871
0.8344	Intermediate Similarity	NPC92693
0.8344	Intermediate Similarity	NPC218841
0.8344	Intermediate Similarity	NPC202249
0.8301	Intermediate Similarity	NPC476359
0.8301	Intermediate Similarity	NPC476338
0.8299	Intermediate Similarity	NPC211386
0.8269	Intermediate Similarity	NPC28724
0.8258	Intermediate Similarity	NPC177830
0.8255	Intermediate Similarity	NPC470962
0.8239	Intermediate Similarity	NPC220462
0.8231	Intermediate Similarity	NPC37065
0.8207	Intermediate Similarity	NPC477705
0.8207	Intermediate Similarity	NPC477694
0.8205	Intermediate Similarity	NPC474975
0.8205	Intermediate Similarity	NPC234152
0.82	Intermediate Similarity	NPC278076
0.8194	Intermediate Similarity	NPC216223
0.8194	Intermediate Similarity	NPC145569
0.8182	Intermediate Similarity	NPC80230
0.8182	Intermediate Similarity	NPC65574
0.8182	Intermediate Similarity	NPC101755
0.8182	Intermediate Similarity	NPC304687
0.8182	Intermediate Similarity	NPC104024
0.8176	Intermediate Similarity	NPC72796
0.8176	Intermediate Similarity	NPC44245
0.8176	Intermediate Similarity	NPC38101
0.8171	Intermediate Similarity	NPC474948
0.8171	Intermediate Similarity	NPC42230
0.8165	Intermediate Similarity	NPC478213
0.8153	Intermediate Similarity	NPC104353
0.8151	Intermediate Similarity	NPC477706
0.8151	Intermediate Similarity	NPC192255
0.8141	Intermediate Similarity	NPC12854
0.8125	Intermediate Similarity	NPC310206
0.8125	Intermediate Similarity	NPC258644
0.8101	Intermediate Similarity	NPC153008
0.8101	Intermediate Similarity	NPC308555
0.8101	Intermediate Similarity	NPC148497
0.8101	Intermediate Similarity	NPC68882
0.8101	Intermediate Similarity	NPC144162
0.8089	Intermediate Similarity	NPC477700
0.8089	Intermediate Similarity	NPC32079
0.8086	Intermediate Similarity	NPC209411
0.8086	Intermediate Similarity	NPC239890
0.8084	Intermediate Similarity	NPC474568
0.8082	Intermediate Similarity	NPC233961
0.8082	Intermediate Similarity	NPC339621
0.8082	Intermediate Similarity	NPC280399
0.8077	Intermediate Similarity	NPC474965
0.8077	Intermediate Similarity	NPC668
0.8077	Intermediate Similarity	NPC477698
0.8077	Intermediate Similarity	NPC477695
0.8077	Intermediate Similarity	NPC177476
0.8077	Intermediate Similarity	NPC174512
0.8077	Intermediate Similarity	NPC262455
0.8077	Intermediate Similarity	NPC293757
0.8075	Intermediate Similarity	NPC325122
0.8067	Intermediate Similarity	NPC231719
0.8067	Intermediate Similarity	NPC52968
0.8065	Intermediate Similarity	NPC24257
0.8065	Intermediate Similarity	NPC153620
0.8065	Intermediate Similarity	NPC30720
0.8063	Intermediate Similarity	NPC477380
0.805	Intermediate Similarity	NPC273578
0.805	Intermediate Similarity	NPC57211
0.805	Intermediate Similarity	NPC178195
0.805	Intermediate Similarity	NPC348849
0.8049	Intermediate Similarity	NPC474647
0.8049	Intermediate Similarity	NPC475953
0.8041	Intermediate Similarity	NPC136750
0.8041	Intermediate Similarity	NPC205915
0.8041	Intermediate Similarity	NPC266848
0.8039	Intermediate Similarity	NPC137920
0.8039	Intermediate Similarity	NPC86455
0.8039	Intermediate Similarity	NPC125134
0.8038	Intermediate Similarity	NPC56184
0.8038	Intermediate Similarity	NPC279061
0.8037	Intermediate Similarity	NPC76687
0.8037	Intermediate Similarity	NPC61141
0.8036	Intermediate Similarity	NPC107739
0.8028	Intermediate Similarity	NPC256167
0.8026	Intermediate Similarity	NPC28398
0.8025	Intermediate Similarity	NPC149505
0.8013	Intermediate Similarity	NPC304821
0.8013	Intermediate Similarity	NPC46947
0.8012	Intermediate Similarity	NPC477885
0.8	Intermediate Similarity	NPC11453
0.8	Intermediate Similarity	NPC286683
0.8	Intermediate Similarity	NPC478238
0.8	Intermediate Similarity	NPC143895
0.8	Intermediate Similarity	NPC254163
0.8	Intermediate Similarity	NPC189054
0.8	Intermediate Similarity	NPC209229
0.7988	Intermediate Similarity	NPC23593
0.7988	Intermediate Similarity	NPC263955
0.7988	Intermediate Similarity	NPC475865
0.7987	Intermediate Similarity	NPC18211
0.7987	Intermediate Similarity	NPC52623
0.7987	Intermediate Similarity	NPC292460
0.7987	Intermediate Similarity	NPC46880
0.7975	Intermediate Similarity	NPC164082
0.7975	Intermediate Similarity	NPC303519
0.7975	Intermediate Similarity	NPC62354
0.7975	Intermediate Similarity	NPC13985
0.7975	Intermediate Similarity	NPC210642
0.7973	Intermediate Similarity	NPC72046
0.7973	Intermediate Similarity	NPC261812
0.7973	Intermediate Similarity	NPC65183
0.7963	Intermediate Similarity	NPC125713
0.7963	Intermediate Similarity	NPC179914
0.7963	Intermediate Similarity	NPC113055
0.795	Intermediate Similarity	NPC301897
0.795	Intermediate Similarity	NPC155063
0.7949	Intermediate Similarity	NPC88345
0.7941	Intermediate Similarity	NPC29587
0.7937	Intermediate Similarity	NPC244371
0.7933	Intermediate Similarity	NPC189474
0.7927	Intermediate Similarity	NPC469512
0.7927	Intermediate Similarity	NPC478199
0.7925	Intermediate Similarity	NPC151425
0.7925	Intermediate Similarity	NPC477699
0.7922	Intermediate Similarity	NPC106920
0.7922	Intermediate Similarity	NPC273657
0.7919	Intermediate Similarity	NPC196937
0.7917	Intermediate Similarity	NPC470685
0.7914	Intermediate Similarity	NPC474770
0.7914	Intermediate Similarity	NPC474936
0.7908	Intermediate Similarity	NPC323601
0.7898	Intermediate Similarity	NPC474999
0.7895	Intermediate Similarity	NPC44573
0.7895	Intermediate Similarity	NPC236089
0.7891	Intermediate Similarity	NPC150809
0.7888	Intermediate Similarity	NPC234730
0.7888	Intermediate Similarity	NPC284353
0.7888	Intermediate Similarity	NPC117154
0.7886	Intermediate Similarity	NPC71385
0.7886	Intermediate Similarity	NPC230670
0.7885	Intermediate Similarity	NPC474446
0.7885	Intermediate Similarity	NPC212697
0.7885	Intermediate Similarity	NPC213482
0.7881	Intermediate Similarity	NPC471182
0.7881	Intermediate Similarity	NPC230968
0.7881	Intermediate Similarity	NPC121651
0.7881	Intermediate Similarity	NPC102260
0.7875	Intermediate Similarity	NPC474514
0.7875	Intermediate Similarity	NPC35544
0.7875	Intermediate Similarity	NPC104728
0.7872	Intermediate Similarity	NPC119949
0.7871	Intermediate Similarity	NPC143092
0.7867	Intermediate Similarity	NPC31530
0.7867	Intermediate Similarity	NPC19890
0.7867	Intermediate Similarity	NPC110958
0.7866	Intermediate Similarity	NPC34376
0.7866	Intermediate Similarity	NPC94155
0.7857	Intermediate Similarity	NPC104956
0.7853	Intermediate Similarity	NPC215375
0.7853	Intermediate Similarity	NPC104459

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472567 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	335
0.1-0.2	893
0.2-0.3	1617
0.3-0.4	2760
0.4-0.5	2049
0.5-0.6	1043
0.6-0.7	404
0.7-0.8	57
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8442	Intermediate Similarity	NPD7028	Phase 2
0.8366	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.8086	Intermediate Similarity	NPD7199	Phase 2
0.7988	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7935	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD37	Approved
0.773	Intermediate Similarity	NPD4967	Phase 2
0.773	Intermediate Similarity	NPD4966	Approved
0.773	Intermediate Similarity	NPD4965	Approved
0.7636	Intermediate Similarity	NPD6234	Discontinued
0.759	Intermediate Similarity	NPD5494	Approved
0.7529	Intermediate Similarity	NPD3818	Discontinued
0.7486	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD3705	Approved
0.7457	Intermediate Similarity	NPD7685	Pre-registration
0.741	Intermediate Similarity	NPD3882	Suspended
0.7353	Intermediate Similarity	NPD3926	Phase 2
0.7326	Intermediate Similarity	NPD7228	Approved
0.7289	Intermediate Similarity	NPD2801	Approved
0.7267	Intermediate Similarity	NPD7473	Discontinued
0.7246	Intermediate Similarity	NPD3817	Phase 2
0.7241	Intermediate Similarity	NPD7074	Phase 3
0.7241	Intermediate Similarity	NPD5536	Phase 2
0.7229	Intermediate Similarity	NPD1934	Approved
0.7219	Intermediate Similarity	NPD919	Approved
0.7203	Intermediate Similarity	NPD5283	Phase 1
0.7193	Intermediate Similarity	NPD6232	Discontinued
0.7188	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4110	Phase 3
0.7184	Intermediate Similarity	NPD7054	Approved
0.7159	Intermediate Similarity	NPD7240	Approved
0.7152	Intermediate Similarity	NPD6100	Approved
0.7152	Intermediate Similarity	NPD6099	Approved
0.7151	Intermediate Similarity	NPD5242	Approved
0.7143	Intermediate Similarity	NPD7472	Approved
0.7143	Intermediate Similarity	NPD5353	Approved
0.7135	Intermediate Similarity	NPD1247	Approved
0.7108	Intermediate Similarity	NPD6599	Discontinued
0.7086	Intermediate Similarity	NPD1876	Approved
0.7083	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD3027	Phase 3
0.7067	Intermediate Similarity	NPD3972	Approved
0.7067	Intermediate Similarity	NPD2981	Phase 2
0.7063	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD2796	Approved
0.7041	Intermediate Similarity	NPD5978	Approved
0.7041	Intermediate Similarity	NPD5977	Approved
0.7039	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD8127	Discontinued
0.7032	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD1357	Approved
0.7022	Intermediate Similarity	NPD7808	Phase 3
0.7022	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD2982	Phase 2
0.702	Intermediate Similarity	NPD2983	Phase 2
0.7019	Intermediate Similarity	NPD2800	Approved
0.7006	Intermediate Similarity	NPD6797	Phase 2
0.7006	Intermediate Similarity	NPD230	Phase 1
0.7	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD8032	Phase 2
0.6981	Remote Similarity	NPD3748	Approved
0.698	Remote Similarity	NPD17	Approved
0.6975	Remote Similarity	NPD4628	Phase 3
0.6966	Remote Similarity	NPD7251	Discontinued
0.6959	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD4357	Discontinued
0.6951	Remote Similarity	NPD6799	Approved
0.6951	Remote Similarity	NPD1511	Approved
0.6948	Remote Similarity	NPD3018	Phase 2
0.6946	Remote Similarity	NPD7458	Discontinued
0.6943	Remote Similarity	NPD1240	Approved
0.6918	Remote Similarity	NPD6111	Discontinued
0.6914	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6166	Phase 2
0.6914	Remote Similarity	NPD2403	Approved
0.6909	Remote Similarity	NPD2532	Approved
0.6909	Remote Similarity	NPD2534	Approved
0.6909	Remote Similarity	NPD2533	Approved
0.6908	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD3657	Discovery
0.6893	Remote Similarity	NPD5844	Phase 1
0.689	Remote Similarity	NPD7124	Phase 2
0.6882	Remote Similarity	NPD7819	Suspended
0.6875	Remote Similarity	NPD1510	Phase 2
0.6871	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD1512	Approved
0.6864	Remote Similarity	NPD6386	Approved
0.6864	Remote Similarity	NPD6385	Approved
0.6855	Remote Similarity	NPD6651	Approved
0.6855	Remote Similarity	NPD1607	Approved
0.6842	Remote Similarity	NPD1608	Approved
0.6839	Remote Similarity	NPD9494	Approved
0.6836	Remote Similarity	NPD3751	Discontinued
0.6835	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD3620	Phase 2
0.6826	Remote Similarity	NPD920	Approved
0.681	Remote Similarity	NPD2654	Approved
0.681	Remote Similarity	NPD1243	Approved
0.6807	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.68	Remote Similarity	NPD1651	Approved
0.68	Remote Similarity	NPD3787	Discontinued
0.6792	Remote Similarity	NPD1933	Approved
0.679	Remote Similarity	NPD6002	Phase 3
0.679	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.679	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.679	Remote Similarity	NPD6004	Phase 3
0.679	Remote Similarity	NPD6005	Phase 3
0.6786	Remote Similarity	NPD1653	Approved
0.6784	Remote Similarity	NPD5761	Phase 2
0.6784	Remote Similarity	NPD5760	Phase 2
0.6784	Remote Similarity	NPD1465	Phase 2
0.6784	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD6559	Discontinued
0.6774	Remote Similarity	NPD4624	Approved
0.6768	Remote Similarity	NPD3750	Approved
0.6766	Remote Similarity	NPD6273	Approved
0.6765	Remote Similarity	NPD6873	Phase 2
0.6747	Remote Similarity	NPD5297	Approved
0.6735	Remote Similarity	NPD1241	Discontinued
0.673	Remote Similarity	NPD943	Approved
0.6727	Remote Similarity	NPD6190	Approved
0.671	Remote Similarity	NPD3266	Approved
0.671	Remote Similarity	NPD3267	Approved
0.6709	Remote Similarity	NPD1296	Phase 2
0.6707	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD3146	Approved
0.6706	Remote Similarity	NPD4380	Phase 2
0.6705	Remote Similarity	NPD7229	Phase 3
0.6704	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD3024	Approved
0.6689	Remote Similarity	NPD3025	Approved
0.6688	Remote Similarity	NPD5327	Phase 3
0.6687	Remote Similarity	NPD6355	Discontinued
0.6687	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD6764	Approved
0.6685	Remote Similarity	NPD6765	Approved
0.6667	Remote Similarity	NPD5005	Approved
0.6667	Remote Similarity	NPD5006	Approved
0.6667	Remote Similarity	NPD5647	Approved
0.6667	Remote Similarity	NPD2798	Approved
0.6667	Remote Similarity	NPD3749	Approved
0.6667	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7075	Discontinued
0.6667	Remote Similarity	NPD8166	Discontinued
0.6667	Remote Similarity	NPD1281	Approved
0.6648	Remote Similarity	NPD7799	Discontinued
0.6647	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD1549	Phase 2
0.6646	Remote Similarity	NPD2492	Phase 1
0.6646	Remote Similarity	NPD6653	Approved
0.6646	Remote Similarity	NPD7095	Approved
0.6645	Remote Similarity	NPD2932	Approved
0.663	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD6801	Discontinued
0.6627	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD2438	Suspended
0.6625	Remote Similarity	NPD4140	Approved
0.661	Remote Similarity	NPD7315	Approved
0.6609	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD3268	Approved
0.6601	Remote Similarity	NPD3026	Approved
0.6601	Remote Similarity	NPD3023	Approved
0.6597	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD8434	Phase 2
0.6588	Remote Similarity	NPD4210	Discontinued
0.6585	Remote Similarity	NPD1375	Discontinued
0.6585	Remote Similarity	NPD5762	Approved
0.6585	Remote Similarity	NPD5763	Approved
0.6584	Remote Similarity	NPD447	Suspended
0.6584	Remote Similarity	NPD5735	Approved
0.6582	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD4749	Approved
0.6579	Remote Similarity	NPD9268	Approved
0.6579	Remote Similarity	NPD5585	Approved
0.657	Remote Similarity	NPD5089	Approved
0.657	Remote Similarity	NPD7411	Suspended
0.657	Remote Similarity	NPD5090	Approved
0.6562	Remote Similarity	NPD6663	Approved
0.6546	Remote Similarity	NPD7680	Approved
0.6545	Remote Similarity	NPD4420	Approved
0.6543	Remote Similarity	NPD6353	Approved
0.6541	Remote Similarity	NPD6785	Approved
0.6541	Remote Similarity	NPD6784	Approved
0.6538	Remote Similarity	NPD1283	Approved
0.6536	Remote Similarity	NPD3019	Approved
0.6527	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD2935	Discontinued
0.6524	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD7235	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD3539	Phase 1
0.6522	Remote Similarity	NPD1613	Approved

Structure

NPC472567 OpenBabel07101718332D 28 31 0 0 1 0 0 0 0 0999 V2000 4.0402 -2.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1427 1.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 3.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 -0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 3.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 1.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 0.5104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1301 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 0.1037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8622 1.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 -0.8909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6814 -0.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2666 0.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 3.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 0.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 2.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 0.9323 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 1 6 2 0 0 0 0 2 13 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 21 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 6 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 23 2 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 6 0 0 0 20 26 1 0 0 0 0 21 7 1 1 0 0 0 22 11 1 6 0 0 0 22 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3577191
ZINC

Physicochemical Properties

Molecular Weight:	386.17
ALogP:	0.0195
MLogP:	3.22
XLogP:	2.334
# Rotatable Bonds:	10
Polar Surface Area:	63.22
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	28

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