NPASS Natural Product

Natural Product: NPC471930

Natural Product ID:	NPC471930
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C25H30O4
Standard InCHIKey:	UFUIABFILCOVIM-ODPTYIABSA-N
Standard InCHI:	InChI=1S/C25H30O4/c26-15-8-6-14(7-9-15)4-2-1-3-5-16-17-10-11-18-20(25(28)29)13-22(27)21-12-19(16)23(17)24(18)21/h6-11,13,16-19,21-24,26-27H,1-5,12H2,(H,28,29)/t16-,17-,18+,19+,21+,22+,23-,24+/m1/s1
Canonical SMILES:	O[C@H]1C=C(C(=O)O)[C@H]2[C@H]3[C@H]1C[C@@H]1[C@H]3[C@@H]([C@H]1CCCCCc1ccc(cc1)O)C=C2
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
NPO33120	beilschmiedia ferruginea	Species	Lauraceae	Eukaryota				PMID[24901800]

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2796	Individual Protein	Apoptosis regulator Bcl-X	Homo sapiens	Inhibition	=	17	%	18183025
NPT57	Individual Protein	Induced myeloid leukemia cell differentiation protein Mcl-1	Homo sapiens	Inhibition	=	3	%	PubChem BioAssay data set

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 NPC471930 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	184
0.1-0.2	874
0.2-0.3	1555
0.3-0.4	3516
0.4-0.5	7826
0.5-0.6	7609
0.6-0.7	8091
0.7-0.8	1178
0.8-0.85	42
0.85-0.9	6
0.9-0.95	6
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC471929
1.0	High Similarity	NPC471935
0.937	High Similarity	NPC471913
0.9076	High Similarity	NPC471924
0.9076	High Similarity	NPC471928
0.9076	High Similarity	NPC471936
0.9076	High Similarity	NPC471925
0.9	High Similarity	NPC471926
0.8934	High Similarity	NPC470585
0.8739	High Similarity	NPC287055
0.8739	High Similarity	NPC242957
0.8739	High Similarity	NPC306977
0.8739	High Similarity	NPC206414
0.8583	High Similarity	NPC471927
0.8444	Intermediate Similarity	NPC477592
0.8421	Intermediate Similarity	NPC475457
0.8421	Intermediate Similarity	NPC475346
0.8421	Intermediate Similarity	NPC475627
0.8421	Intermediate Similarity	NPC18982
0.8382	Intermediate Similarity	NPC248287
0.8382	Intermediate Similarity	NPC234548
0.8372	Intermediate Similarity	NPC137416
0.8286	Intermediate Similarity	NPC247221
0.8248	Intermediate Similarity	NPC477593
0.8235	Intermediate Similarity	NPC249817
0.8222	Intermediate Similarity	NPC477594
0.8222	Intermediate Similarity	NPC194970
0.8175	Intermediate Similarity	NPC475482
0.8175	Intermediate Similarity	NPC216940
0.8175	Intermediate Similarity	NPC22676
0.8175	Intermediate Similarity	NPC198621
0.8162	Intermediate Similarity	NPC173569
0.8162	Intermediate Similarity	NPC477874
0.8162	Intermediate Similarity	NPC477596
0.8154	Intermediate Similarity	NPC474532
0.8145	Intermediate Similarity	NPC285350
0.811	Intermediate Similarity	NPC42657
0.8106	Intermediate Similarity	NPC262936
0.8106	Intermediate Similarity	NPC30491
0.8099	Intermediate Similarity	NPC189054
0.8088	Intermediate Similarity	NPC11266
0.8071	Intermediate Similarity	NPC477595
0.8047	Intermediate Similarity	NPC190501
0.8047	Intermediate Similarity	NPC318552
0.8042	Intermediate Similarity	NPC472936
0.8042	Intermediate Similarity	NPC472938
0.8042	Intermediate Similarity	NPC472937
0.803	Intermediate Similarity	NPC71610
0.803	Intermediate Similarity	NPC269598
0.8016	Intermediate Similarity	NPC325646
0.8016	Intermediate Similarity	NPC28951
0.8015	Intermediate Similarity	NPC474766
0.8	Intermediate Similarity	NPC164947
0.8	Intermediate Similarity	NPC304110
0.8	Intermediate Similarity	NPC27518
0.8	Intermediate Similarity	NPC472801
0.7985	Intermediate Similarity	NPC117899
0.7985	Intermediate Similarity	NPC288290
0.7972	Intermediate Similarity	NPC66894
0.7972	Intermediate Similarity	NPC8102
0.7969	Intermediate Similarity	NPC31296
0.7969	Intermediate Similarity	NPC79933
0.7969	Intermediate Similarity	NPC473974
0.7969	Intermediate Similarity	NPC258366
0.7958	Intermediate Similarity	NPC477207
0.7953	Intermediate Similarity	NPC325295
0.7953	Intermediate Similarity	NPC76308
0.7937	Intermediate Similarity	NPC23402
0.7931	Intermediate Similarity	NPC279442
0.7914	Intermediate Similarity	NPC471152
0.791	Intermediate Similarity	NPC193203
0.7907	Intermediate Similarity	NPC478121
0.7903	Intermediate Similarity	NPC177576
0.7899	Intermediate Similarity	NPC472804
0.7887	Intermediate Similarity	NPC477209
0.7886	Intermediate Similarity	NPC326187
0.7886	Intermediate Similarity	NPC88141
0.7879	Intermediate Similarity	NPC265413
0.7879	Intermediate Similarity	NPC10154
0.7877	Intermediate Similarity	NPC472939
0.7874	Intermediate Similarity	NPC128249
0.7872	Intermediate Similarity	NPC323601
0.7872	Intermediate Similarity	NPC172311
0.7868	Intermediate Similarity	NPC18798
0.7863	Intermediate Similarity	NPC121168
0.7863	Intermediate Similarity	NPC475192
0.7857	Intermediate Similarity	NPC116742
0.7857	Intermediate Similarity	NPC139243
0.7852	Intermediate Similarity	NPC131684
0.7846	Intermediate Similarity	NPC241001
0.7846	Intermediate Similarity	NPC164852
0.7832	Intermediate Similarity	NPC202391
0.7832	Intermediate Similarity	NPC296659
0.7832	Intermediate Similarity	NPC25491
0.7829	Intermediate Similarity	NPC182240
0.7823	Intermediate Similarity	NPC321252
0.7823	Intermediate Similarity	NPC252544
0.782	Intermediate Similarity	NPC472592
0.7805	Intermediate Similarity	NPC31274
0.7805	Intermediate Similarity	NPC317305
0.7801	Intermediate Similarity	NPC470616
0.7801	Intermediate Similarity	NPC470617
0.7795	Intermediate Similarity	NPC322197
0.7787	Intermediate Similarity	NPC95178
0.7787	Intermediate Similarity	NPC69332
0.7787	Intermediate Similarity	NPC70843
0.7787	Intermediate Similarity	NPC29989
0.7786	Intermediate Similarity	NPC162935
0.7786	Intermediate Similarity	NPC249340
0.7786	Intermediate Similarity	NPC154696
0.7778	Intermediate Similarity	NPC469930
0.7778	Intermediate Similarity	NPC229894
0.777	Intermediate Similarity	NPC43353
0.7769	Intermediate Similarity	NPC473136
0.7762	Intermediate Similarity	NPC477873
0.7762	Intermediate Similarity	NPC469447
0.7754	Intermediate Similarity	NPC471749
0.7752	Intermediate Similarity	NPC48342
0.7752	Intermediate Similarity	NPC249435
0.7752	Intermediate Similarity	NPC328694
0.7752	Intermediate Similarity	NPC164649
0.7744	Intermediate Similarity	NPC117794
0.7744	Intermediate Similarity	NPC181334
0.7734	Intermediate Similarity	NPC474358
0.7734	Intermediate Similarity	NPC137496
0.7734	Intermediate Similarity	NPC247858
0.7734	Intermediate Similarity	NPC257540
0.7734	Intermediate Similarity	NPC474387
0.7734	Intermediate Similarity	NPC154511
0.7731	Intermediate Similarity	NPC245561
0.773	Intermediate Similarity	NPC318575
0.7727	Intermediate Similarity	NPC86900
0.7724	Intermediate Similarity	NPC208293
0.7721	Intermediate Similarity	NPC86257
0.7721	Intermediate Similarity	NPC214246
0.7721	Intermediate Similarity	NPC30174
0.7718	Intermediate Similarity	NPC257847
0.7717	Intermediate Similarity	NPC197513
0.7714	Intermediate Similarity	NPC476699
0.771	Intermediate Similarity	NPC259703
0.771	Intermediate Similarity	NPC32322
0.7698	Intermediate Similarity	NPC17693
0.7692	Intermediate Similarity	NPC473767
0.7692	Intermediate Similarity	NPC35212
0.7692	Intermediate Similarity	NPC91019
0.7692	Intermediate Similarity	NPC106519
0.7687	Intermediate Similarity	NPC253591
0.7687	Intermediate Similarity	NPC87985
0.7687	Intermediate Similarity	NPC167055
0.7687	Intermediate Similarity	NPC240744
0.768	Intermediate Similarity	NPC183700
0.768	Intermediate Similarity	NPC21162
0.768	Intermediate Similarity	NPC222905
0.768	Intermediate Similarity	NPC63345
0.7669	Intermediate Similarity	NPC198014
0.7669	Intermediate Similarity	NPC275145
0.7669	Intermediate Similarity	NPC135062
0.7669	Intermediate Similarity	NPC471187
0.7669	Intermediate Similarity	NPC174991
0.7667	Intermediate Similarity	NPC470102
0.7667	Intermediate Similarity	NPC52472
0.766	Intermediate Similarity	NPC231719
0.766	Intermediate Similarity	NPC170718
0.766	Intermediate Similarity	NPC52968
0.7655	Intermediate Similarity	NPC53520
0.7652	Intermediate Similarity	NPC31936
0.7652	Intermediate Similarity	NPC253627
0.7647	Intermediate Similarity	NPC473744
0.7647	Intermediate Similarity	NPC96024
0.7642	Intermediate Similarity	NPC188677
0.7639	Intermediate Similarity	NPC310621
0.7639	Intermediate Similarity	NPC252133
0.7639	Intermediate Similarity	NPC235557
0.7635	Intermediate Similarity	NPC116292
0.7635	Intermediate Similarity	NPC267469
0.7635	Intermediate Similarity	NPC87630
0.7635	Intermediate Similarity	NPC179128
0.763	Intermediate Similarity	NPC110211
0.7626	Intermediate Similarity	NPC203486
0.7626	Intermediate Similarity	NPC78307
0.7623	Intermediate Similarity	NPC261573
0.7623	Intermediate Similarity	NPC120693
0.7623	Intermediate Similarity	NPC8931
0.7622	Intermediate Similarity	NPC473612
0.7619	Intermediate Similarity	NPC477483
0.7619	Intermediate Similarity	NPC325032
0.7615	Intermediate Similarity	NPC474890
0.7615	Intermediate Similarity	NPC161943
0.7615	Intermediate Similarity	NPC104514
0.7615	Intermediate Similarity	NPC273282
0.7612	Intermediate Similarity	NPC474803
0.7612	Intermediate Similarity	NPC199273
0.7612	Intermediate Similarity	NPC164014
0.7612	Intermediate Similarity	NPC15127
0.7609	Intermediate Similarity	NPC125153
0.7609	Intermediate Similarity	NPC471851
0.76	Intermediate Similarity	NPC105942
0.76	Intermediate Similarity	NPC205392
0.7594	Intermediate Similarity	NPC11250
0.7594	Intermediate Similarity	NPC282577

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471930 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	188
0.1-0.2	792
0.2-0.3	1190
0.3-0.4	2371
0.4-0.5	2383
0.5-0.6	1596
0.6-0.7	577
0.7-0.8	60
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
0.8189	Intermediate Similarity	NPD2932	Approved
0.8134	Intermediate Similarity	NPD6663	Approved
0.8106	Intermediate Similarity	NPD5736	Approved
0.8047	Intermediate Similarity	NPD3019	Approved
0.7752	Intermediate Similarity	NPD3091	Approved
0.7692	Intermediate Similarity	NPD8166	Discontinued
0.7576	Intermediate Similarity	NPD3026	Approved
0.7576	Intermediate Similarity	NPD3023	Approved
0.7557	Intermediate Similarity	NPD3025	Approved
0.7557	Intermediate Similarity	NPD3024	Approved
0.7551	Intermediate Similarity	NPD6273	Approved
0.7536	Intermediate Similarity	NPD3764	Approved
0.7519	Intermediate Similarity	NPD3092	Approved
0.75	Intermediate Similarity	NPD3095	Discontinued
0.7426	Intermediate Similarity	NPD3094	Phase 2
0.7372	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD4140	Approved
0.7302	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD1164	Approved
0.7295	Intermediate Similarity	NPD3020	Approved
0.7292	Intermediate Similarity	NPD5408	Approved
0.7292	Intermediate Similarity	NPD5404	Approved
0.7292	Intermediate Similarity	NPD5406	Approved
0.7292	Intermediate Similarity	NPD5405	Approved
0.7279	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD6355	Discontinued
0.7244	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD4059	Approved
0.7226	Intermediate Similarity	NPD1876	Approved
0.7226	Intermediate Similarity	NPD1283	Approved
0.7218	Intermediate Similarity	NPD9545	Approved
0.7211	Intermediate Similarity	NPD7003	Approved
0.7211	Intermediate Similarity	NPD4628	Phase 3
0.7176	Intermediate Similarity	NPD5951	Approved
0.7174	Intermediate Similarity	NPD1470	Approved
0.7152	Intermediate Similarity	NPD8127	Discontinued
0.7132	Intermediate Similarity	NPD1201	Approved
0.7124	Intermediate Similarity	NPD7028	Phase 2
0.712	Intermediate Similarity	NPD5738	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD6647	Phase 2
0.7114	Intermediate Similarity	NPD7236	Approved
0.7113	Intermediate Similarity	NPD8032	Phase 2
0.7111	Intermediate Similarity	NPD4626	Approved
0.7103	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD2935	Discontinued
0.705	Intermediate Similarity	NPD2797	Approved
0.7049	Intermediate Similarity	NPD2859	Approved
0.7049	Intermediate Similarity	NPD2860	Approved
0.7045	Intermediate Similarity	NPD2629	Approved
0.7037	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD6858	Approved
0.7023	Intermediate Similarity	NPD7094	Approved
0.7016	Intermediate Similarity	NPD2066	Phase 3
0.7007	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD6005	Phase 3
0.7007	Intermediate Similarity	NPD1281	Approved
0.7007	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD6004	Phase 3
0.7007	Intermediate Similarity	NPD6002	Phase 3
0.7	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5647	Approved
0.6992	Remote Similarity	NPD255	Approved
0.6992	Remote Similarity	NPD256	Approved
0.6986	Remote Similarity	NPD2799	Discontinued
0.6985	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.698	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.698	Remote Similarity	NPD3750	Approved
0.698	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.698	Remote Similarity	NPD4110	Phase 3
0.698	Remote Similarity	NPD3400	Discontinued
0.6977	Remote Similarity	NPD74	Approved
0.6977	Remote Similarity	NPD9266	Approved
0.6972	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD2933	Approved
0.6967	Remote Similarity	NPD2934	Approved
0.6948	Remote Similarity	NPD7458	Discontinued
0.6944	Remote Similarity	NPD2979	Phase 3
0.694	Remote Similarity	NPD9493	Approved
0.6935	Remote Similarity	NPD9495	Approved
0.6933	Remote Similarity	NPD6190	Approved
0.6929	Remote Similarity	NPD1237	Approved
0.6923	Remote Similarity	NPD3021	Approved
0.6923	Remote Similarity	NPD6798	Discontinued
0.6923	Remote Similarity	NPD3268	Approved
0.6923	Remote Similarity	NPD3022	Approved
0.6913	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD5691	Approved
0.6908	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD9264	Approved
0.6899	Remote Similarity	NPD9267	Approved
0.6899	Remote Similarity	NPD9263	Approved
0.6892	Remote Similarity	NPD5763	Approved
0.6892	Remote Similarity	NPD5762	Approved
0.6883	Remote Similarity	NPD7239	Suspended
0.6879	Remote Similarity	NPD6085	Phase 2
0.6879	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.687	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD7008	Discontinued
0.685	Remote Similarity	NPD1930	Approved
0.685	Remote Similarity	NPD1929	Approved
0.685	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.685	Remote Similarity	NPD5765	Approved
0.6849	Remote Similarity	NPD6653	Approved
0.6846	Remote Similarity	NPD5958	Discontinued
0.6842	Remote Similarity	NPD1241	Discontinued
0.6838	Remote Similarity	NPD1894	Discontinued
0.6835	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD1693	Approved
0.6828	Remote Similarity	NPD3620	Phase 2
0.6828	Remote Similarity	NPD4060	Phase 1
0.6828	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD2438	Suspended
0.6822	Remote Similarity	NPD3134	Approved
0.6815	Remote Similarity	NPD37	Approved
0.6815	Remote Similarity	NPD9568	Approved
0.6812	Remote Similarity	NPD3847	Discontinued
0.6809	Remote Similarity	NPD6362	Approved
0.6797	Remote Similarity	NPD5909	Discontinued
0.6788	Remote Similarity	NPD1651	Approved
0.6783	Remote Similarity	NPD2614	Approved
0.6776	Remote Similarity	NPD3300	Phase 2
0.6763	Remote Similarity	NPD1535	Discovery
0.6761	Remote Similarity	NPD4624	Approved
0.6761	Remote Similarity	NPD2798	Approved
0.6759	Remote Similarity	NPD6233	Phase 2
0.6757	Remote Similarity	NPD7743	Approved
0.6757	Remote Similarity	NPD7742	Approved
0.6757	Remote Similarity	NPD7033	Discontinued
0.6757	Remote Similarity	NPD7305	Phase 1
0.6757	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD845	Approved
0.6736	Remote Similarity	NPD3136	Phase 2
0.672	Remote Similarity	NPD288	Approved
0.6715	Remote Similarity	NPD7009	Phase 2
0.6715	Remote Similarity	NPD1759	Phase 1
0.6714	Remote Similarity	NPD3972	Approved
0.6714	Remote Similarity	NPD1481	Phase 2
0.6713	Remote Similarity	NPD2861	Phase 2
0.6712	Remote Similarity	NPD826	Approved
0.6712	Remote Similarity	NPD825	Approved
0.6711	Remote Similarity	NPD4476	Approved
0.6711	Remote Similarity	NPD2531	Phase 2
0.6711	Remote Similarity	NPD4477	Approved
0.6692	Remote Similarity	NPD6685	Approved
0.6691	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.669	Remote Similarity	NPD2313	Discontinued
0.6688	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD4965	Approved
0.6687	Remote Similarity	NPD4966	Approved
0.6687	Remote Similarity	NPD4967	Phase 2
0.6667	Remote Similarity	NPD9281	Approved
0.6667	Remote Similarity	NPD5735	Approved
0.6667	Remote Similarity	NPD7266	Discontinued
0.6667	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2346	Discontinued
0.6667	Remote Similarity	NPD5327	Phase 3
0.6667	Remote Similarity	NPD4750	Phase 3
0.6644	Remote Similarity	NPD7961	Discontinued
0.6644	Remote Similarity	NPD1510	Phase 2
0.6644	Remote Similarity	NPD3748	Approved
0.6644	Remote Similarity	NPD4308	Phase 3
0.6644	Remote Similarity	NPD4062	Phase 3
0.6643	Remote Similarity	NPD258	Approved
0.6643	Remote Similarity	NPD257	Approved
0.6642	Remote Similarity	NPD7635	Approved
0.6642	Remote Similarity	NPD1758	Phase 1
0.6642	Remote Similarity	NPD7610	Discontinued
0.6641	Remote Similarity	NPD1358	Approved
0.6641	Remote Similarity	NPD2342	Discontinued
0.664	Remote Similarity	NPD844	Approved
0.664	Remote Similarity	NPD1809	Phase 2
0.6639	Remote Similarity	NPD9256	Approved
0.6639	Remote Similarity	NPD1089	Approved
0.6639	Remote Similarity	NPD1086	Approved
0.6639	Remote Similarity	NPD1090	Approved
0.6639	Remote Similarity	NPD9258	Approved
0.6623	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD6353	Approved
0.6619	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD6234	Discontinued
0.6597	Remote Similarity	NPD4208	Discontinued
0.6596	Remote Similarity	NPD4878	Approved
0.6596	Remote Similarity	NPD1608	Approved
0.6596	Remote Similarity	NPD9269	Phase 2
0.6594	Remote Similarity	NPD7741	Discontinued
0.6593	Remote Similarity	NPD2229	Approved
0.6593	Remote Similarity	NPD2234	Approved
0.6593	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD2228	Approved
0.6591	Remote Similarity	NPD2182	Approved
0.6589	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6589	Remote Similarity	NPD9261	Approved
0.6584	Remote Similarity	NPD7058	Phase 2

Structure

NPC471930 OpenBabel07101718282D 29 33 0 0 1 0 0 0 0 0999 V2000 3.3801 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 -1.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2779 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2438 -0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 -1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9509 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1249 1.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3611 2.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0580 3.1533 0.0000 C 0 0 1 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 -0.3090 1.9511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3482 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9169 -0.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 4.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7036 3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 1.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 14 1 0 0 0 0 6 8 1 0 0 0 0 6 14 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 13 20 2 0 0 0 0 13 22 1 0 0 0 0 15 26 1 0 0 0 0 16 5 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 10 1 1 0 0 0 17 23 1 0 0 0 0 18 11 1 1 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 12 1 1 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 12 1 6 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 27 1 6 0 0 0 23 24 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	90683307
ChEMBL	CHEMBL3298857
ZINC

Physicochemical Properties

Molecular Weight:	394.21
ALogP:	-2.1065
MLogP:	3.77
XLogP:	6.322
# Rotatable Bonds:	10
Polar Surface Area:	77.76
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	29

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