NPASS Natural Product

Natural Product: NPC284232

Natural Product ID:	NPC284232
Common Name:	Decaspirone F
IUPAC Name:
Synonyms:	Decaspirone F
Molecular Formula:	C20H18O5
Standard InCHIKey:	VSMSWBOTOMYLOD-ZXGKTVMQSA-N
Standard InCHI:	InChI=1S/C20H18O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-10,12-14,18-19,21-23H/t12-,13-,14+,18-,19+/m0/s1
Canonical SMILES:	O[C@H]1C=CC2([C@H]3[C@H]1[C@@H](O)C=C[C@H]3O)Oc1cccc3c1c(O2)ccc3
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
NPO33005	helicoma viridis	Species	Tubeufiaceae	Eukaryota				PMID[17190440]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	8	mm	23398362

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 NPC284232 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	259
0.1-0.2	1128
0.2-0.3	2269
0.3-0.4	6600
0.4-0.5	7068
0.5-0.6	3262
0.6-0.7	7519
0.7-0.8	2691
0.8-0.85	77
0.85-0.9	10
0.9-0.95	5
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9612	High Similarity	NPC92932
0.938	High Similarity	NPC138940
0.9248	High Similarity	NPC193920
0.9118	High Similarity	NPC257404
0.9044	High Similarity	NPC197461
0.903	High Similarity	NPC472151
0.8921	High Similarity	NPC11800
0.8921	High Similarity	NPC206579
0.8905	High Similarity	NPC133585
0.8777	High Similarity	NPC472154
0.8714	High Similarity	NPC97662
0.8714	High Similarity	NPC288531
0.8571	High Similarity	NPC472155
0.8571	High Similarity	NPC151704
0.8511	High Similarity	NPC173630
0.8511	High Similarity	NPC271076
0.8385	Intermediate Similarity	NPC188997
0.838	Intermediate Similarity	NPC23807
0.8321	Intermediate Similarity	NPC261992
0.8321	Intermediate Similarity	NPC473107
0.8273	Intermediate Similarity	NPC134260
0.8254	Intermediate Similarity	NPC470837
0.8248	Intermediate Similarity	NPC24913
0.8248	Intermediate Similarity	NPC177712
0.8231	Intermediate Similarity	NPC233467
0.8222	Intermediate Similarity	NPC218003
0.8222	Intermediate Similarity	NPC472797
0.8201	Intermediate Similarity	NPC475628
0.8189	Intermediate Similarity	NPC301321
0.8156	Intermediate Similarity	NPC213607
0.8156	Intermediate Similarity	NPC174787
0.8156	Intermediate Similarity	NPC182509
0.8148	Intermediate Similarity	NPC38604
0.8148	Intermediate Similarity	NPC211179
0.814	Intermediate Similarity	NPC283616
0.8134	Intermediate Similarity	NPC50315
0.8134	Intermediate Similarity	NPC26879
0.8134	Intermediate Similarity	NPC230479
0.8134	Intermediate Similarity	NPC283049
0.8129	Intermediate Similarity	NPC15109
0.8129	Intermediate Similarity	NPC11727
0.8129	Intermediate Similarity	NPC79957
0.8112	Intermediate Similarity	NPC472451
0.8108	Intermediate Similarity	NPC21902
0.8102	Intermediate Similarity	NPC475067
0.8102	Intermediate Similarity	NPC121376
0.8099	Intermediate Similarity	NPC108674
0.8099	Intermediate Similarity	NPC210192
0.8099	Intermediate Similarity	NPC5155
0.8088	Intermediate Similarity	NPC97326
0.8088	Intermediate Similarity	NPC472796
0.8088	Intermediate Similarity	NPC472795
0.8085	Intermediate Similarity	NPC183781
0.8071	Intermediate Similarity	NPC234952
0.8069	Intermediate Similarity	NPC99515
0.8069	Intermediate Similarity	NPC190714
0.8069	Intermediate Similarity	NPC155564
0.8069	Intermediate Similarity	NPC47152
0.8069	Intermediate Similarity	NPC248053
0.8069	Intermediate Similarity	NPC102280
0.806	Intermediate Similarity	NPC4286
0.806	Intermediate Similarity	NPC76119
0.8058	Intermediate Similarity	NPC130496
0.8058	Intermediate Similarity	NPC188555
0.8056	Intermediate Similarity	NPC469313
0.8056	Intermediate Similarity	NPC168579
0.8056	Intermediate Similarity	NPC76176
0.8056	Intermediate Similarity	NPC138227
0.8043	Intermediate Similarity	NPC26080
0.8043	Intermediate Similarity	NPC165686
0.8043	Intermediate Similarity	NPC85799
0.8043	Intermediate Similarity	NPC303422
0.8042	Intermediate Similarity	NPC60249
0.8042	Intermediate Similarity	NPC472353
0.803	Intermediate Similarity	NPC226712
0.8028	Intermediate Similarity	NPC473049
0.8028	Intermediate Similarity	NPC472794
0.8026	Intermediate Similarity	NPC472156
0.8015	Intermediate Similarity	NPC39064
0.8015	Intermediate Similarity	NPC274717
0.8015	Intermediate Similarity	NPC53986
0.8015	Intermediate Similarity	NPC38664
0.8015	Intermediate Similarity	NPC47283
0.8015	Intermediate Similarity	NPC40377
0.8014	Intermediate Similarity	NPC473480
0.8014	Intermediate Similarity	NPC262328
0.8014	Intermediate Similarity	NPC87777
0.8014	Intermediate Similarity	NPC15538
0.8	Intermediate Similarity	NPC262573
0.8	Intermediate Similarity	NPC238243
0.8	Intermediate Similarity	NPC329980
0.8	Intermediate Similarity	NPC471215
0.8	Intermediate Similarity	NPC306816
0.7987	Intermediate Similarity	NPC46283
0.7987	Intermediate Similarity	NPC272552
0.7987	Intermediate Similarity	NPC44192
0.7987	Intermediate Similarity	NPC322899
0.7987	Intermediate Similarity	NPC134911
0.7987	Intermediate Similarity	NPC469944
0.7987	Intermediate Similarity	NPC474442
0.7987	Intermediate Similarity	NPC226108
0.7987	Intermediate Similarity	NPC59692
0.7986	Intermediate Similarity	NPC294166
0.7986	Intermediate Similarity	NPC77196
0.7986	Intermediate Similarity	NPC215037
0.7986	Intermediate Similarity	NPC37793
0.7986	Intermediate Similarity	NPC211352
0.7986	Intermediate Similarity	NPC115022
0.7986	Intermediate Similarity	NPC473044
0.7985	Intermediate Similarity	NPC61685
0.7972	Intermediate Similarity	NPC178054
0.7972	Intermediate Similarity	NPC472792
0.7972	Intermediate Similarity	NPC472791
0.7972	Intermediate Similarity	NPC473499
0.7972	Intermediate Similarity	NPC76871
0.7971	Intermediate Similarity	NPC300875
0.7971	Intermediate Similarity	NPC236014
0.7971	Intermediate Similarity	NPC17343
0.7971	Intermediate Similarity	NPC129106
0.7971	Intermediate Similarity	NPC280653
0.7971	Intermediate Similarity	NPC472590
0.7971	Intermediate Similarity	NPC206224
0.7971	Intermediate Similarity	NPC118683
0.7971	Intermediate Similarity	NPC268917
0.7971	Intermediate Similarity	NPC12875
0.7971	Intermediate Similarity	NPC150011
0.7971	Intermediate Similarity	NPC164574
0.7971	Intermediate Similarity	NPC244888
0.7971	Intermediate Similarity	NPC228369
0.7971	Intermediate Similarity	NPC118114
0.7971	Intermediate Similarity	NPC476166
0.7971	Intermediate Similarity	NPC153019
0.7971	Intermediate Similarity	NPC129784
0.7971	Intermediate Similarity	NPC207892
0.7971	Intermediate Similarity	NPC196765
0.7971	Intermediate Similarity	NPC164804
0.7971	Intermediate Similarity	NPC68205
0.7971	Intermediate Similarity	NPC293203
0.7971	Intermediate Similarity	NPC211413
0.7959	Intermediate Similarity	NPC280945
0.7959	Intermediate Similarity	NPC175976
0.7958	Intermediate Similarity	NPC292487
0.7958	Intermediate Similarity	NPC471388
0.7958	Intermediate Similarity	NPC32630
0.7956	Intermediate Similarity	NPC16577
0.7956	Intermediate Similarity	NPC222108
0.7956	Intermediate Similarity	NPC93962
0.7956	Intermediate Similarity	NPC96719
0.7945	Intermediate Similarity	NPC469408
0.7945	Intermediate Similarity	NPC125755
0.7943	Intermediate Similarity	NPC472800
0.7943	Intermediate Similarity	NPC138350
0.7943	Intermediate Similarity	NPC197723
0.7943	Intermediate Similarity	NPC165482
0.7943	Intermediate Similarity	NPC40664
0.7943	Intermediate Similarity	NPC3293
0.7943	Intermediate Similarity	NPC141717
0.7939	Intermediate Similarity	NPC20230
0.7939	Intermediate Similarity	NPC38181
0.7939	Intermediate Similarity	NPC51341
0.7933	Intermediate Similarity	NPC20050
0.7933	Intermediate Similarity	NPC306267
0.7931	Intermediate Similarity	NPC473045
0.7931	Intermediate Similarity	NPC25292
0.7931	Intermediate Similarity	NPC473108
0.7929	Intermediate Similarity	NPC476617
0.7929	Intermediate Similarity	NPC476615
0.7929	Intermediate Similarity	NPC476616
0.7929	Intermediate Similarity	NPC223008
0.7929	Intermediate Similarity	NPC296915
0.7929	Intermediate Similarity	NPC115335
0.7929	Intermediate Similarity	NPC97834
0.7929	Intermediate Similarity	NPC478085
0.7929	Intermediate Similarity	NPC198154
0.7929	Intermediate Similarity	NPC87696
0.7929	Intermediate Similarity	NPC225696
0.7917	Intermediate Similarity	NPC230538
0.7917	Intermediate Similarity	NPC475084
0.7917	Intermediate Similarity	NPC36531
0.7917	Intermediate Similarity	NPC103637
0.7917	Intermediate Similarity	NPC229172
0.7914	Intermediate Similarity	NPC472798
0.7914	Intermediate Similarity	NPC289624
0.7914	Intermediate Similarity	NPC13005
0.7914	Intermediate Similarity	NPC27578
0.791	Intermediate Similarity	NPC76465
0.791	Intermediate Similarity	NPC38761
0.7905	Intermediate Similarity	NPC295573
0.7905	Intermediate Similarity	NPC470208
0.7905	Intermediate Similarity	NPC44452
0.7902	Intermediate Similarity	NPC109240
0.7899	Intermediate Similarity	NPC262606
0.7899	Intermediate Similarity	NPC470225
0.7899	Intermediate Similarity	NPC27187
0.7895	Intermediate Similarity	NPC193364
0.7895	Intermediate Similarity	NPC54972
0.7891	Intermediate Similarity	NPC301949
0.7883	Intermediate Similarity	NPC311293
0.7883	Intermediate Similarity	NPC148366
0.7877	Intermediate Similarity	NPC476301

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC284232 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	256
0.1-0.2	889
0.2-0.3	1404
0.3-0.4	2590
0.4-0.5	2020
0.5-0.6	1229
0.6-0.7	649
0.7-0.8	122
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.803	Intermediate Similarity	NPD1091	Approved
0.8015	Intermediate Similarity	NPD4908	Phase 1
0.7956	Intermediate Similarity	NPD4625	Phase 3
0.7941	Intermediate Similarity	NPD2861	Phase 2
0.7899	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD1610	Phase 2
0.7786	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD1613	Approved
0.7778	Intermediate Similarity	NPD4749	Approved
0.777	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD6674	Discontinued
0.7703	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD4060	Phase 1
0.7643	Intermediate Similarity	NPD3787	Discontinued
0.7634	Intermediate Similarity	NPD6671	Approved
0.7634	Intermediate Similarity	NPD709	Approved
0.7603	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD1548	Phase 1
0.7574	Intermediate Similarity	NPD2231	Phase 2
0.7574	Intermediate Similarity	NPD2235	Phase 2
0.7569	Intermediate Similarity	NPD4108	Discontinued
0.7562	Intermediate Similarity	NPD3751	Discontinued
0.7518	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.748	Intermediate Similarity	NPD968	Approved
0.7432	Intermediate Similarity	NPD3892	Phase 2
0.7429	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD3496	Discontinued
0.7422	Intermediate Similarity	NPD290	Approved
0.7413	Intermediate Similarity	NPD4140	Approved
0.741	Intermediate Similarity	NPD2797	Approved
0.7379	Intermediate Similarity	NPD7097	Phase 1
0.7372	Intermediate Similarity	NPD1611	Approved
0.7347	Intermediate Similarity	NPD5762	Approved
0.7347	Intermediate Similarity	NPD5763	Approved
0.7324	Intermediate Similarity	NPD3027	Phase 3
0.7308	Intermediate Similarity	NPD8455	Phase 2
0.7279	Intermediate Similarity	NPD5585	Approved
0.7273	Intermediate Similarity	NPD3268	Approved
0.7266	Intermediate Similarity	NPD5327	Phase 3
0.7244	Intermediate Similarity	NPD37	Approved
0.7241	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD5735	Approved
0.7241	Intermediate Similarity	NPD5124	Phase 1
0.7215	Intermediate Similarity	NPD4966	Approved
0.7215	Intermediate Similarity	NPD4967	Phase 2
0.7215	Intermediate Similarity	NPD4965	Approved
0.7214	Intermediate Similarity	NPD3225	Approved
0.7211	Intermediate Similarity	NPD2156	Approved
0.7211	Intermediate Similarity	NPD2154	Approved
0.7211	Intermediate Similarity	NPD2155	Approved
0.7208	Intermediate Similarity	NPD1653	Approved
0.72	Intermediate Similarity	NPD3750	Approved
0.7194	Intermediate Similarity	NPD2230	Approved
0.7194	Intermediate Similarity	NPD2233	Approved
0.7194	Intermediate Similarity	NPD2232	Approved
0.7192	Intermediate Similarity	NPD6653	Approved
0.7185	Intermediate Similarity	NPD7340	Approved
0.7172	Intermediate Similarity	NPD2238	Phase 2
0.7171	Intermediate Similarity	NPD6087	Phase 1
0.7171	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD7041	Phase 2
0.717	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD6099	Approved
0.7162	Intermediate Similarity	NPD6100	Approved
0.7153	Intermediate Similarity	NPD3444	Approved
0.7153	Intermediate Similarity	NPD3445	Approved
0.7153	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3443	Approved
0.7143	Intermediate Similarity	NPD7199	Phase 2
0.7143	Intermediate Similarity	NPD3685	Discontinued
0.7134	Intermediate Similarity	NPD7228	Approved
0.7133	Intermediate Similarity	NPD5177	Phase 3
0.7124	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD6355	Discontinued
0.7122	Intermediate Similarity	NPD3705	Approved
0.7113	Intermediate Similarity	NPD6584	Phase 3
0.7111	Intermediate Similarity	NPD7157	Approved
0.7105	Intermediate Similarity	NPD5058	Phase 3
0.7101	Intermediate Similarity	NPD4626	Approved
0.7101	Intermediate Similarity	NPD5125	Phase 3
0.7101	Intermediate Similarity	NPD5126	Approved
0.7099	Intermediate Similarity	NPD2684	Approved
0.7095	Intermediate Similarity	NPD7033	Discontinued
0.7092	Intermediate Similarity	NPD8651	Approved
0.7091	Intermediate Similarity	NPD7054	Approved
0.7091	Intermediate Similarity	NPD5844	Phase 1
0.709	Intermediate Similarity	NPD5283	Phase 1
0.709	Intermediate Similarity	NPD1398	Phase 1
0.7086	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD8312	Approved
0.7083	Intermediate Similarity	NPD8313	Approved
0.7075	Intermediate Similarity	NPD6353	Approved
0.7075	Intermediate Similarity	NPD4097	Suspended
0.7071	Intermediate Similarity	NPD1840	Phase 2
0.7067	Intermediate Similarity	NPD7037	Approved
0.7063	Intermediate Similarity	NPD1712	Approved
0.7059	Intermediate Similarity	NPD7212	Phase 2
0.7059	Intermediate Similarity	NPD7213	Phase 3
0.7048	Intermediate Similarity	NPD7472	Approved
0.7048	Intermediate Similarity	NPD7074	Phase 3
0.7047	Intermediate Similarity	NPD6032	Approved
0.7039	Intermediate Similarity	NPD2677	Approved
0.7037	Intermediate Similarity	NPD6959	Discontinued
0.7034	Intermediate Similarity	NPD6798	Discontinued
0.7034	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD1357	Approved
0.7029	Intermediate Similarity	NPD5691	Approved
0.7027	Intermediate Similarity	NPD4536	Approved
0.7027	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD4538	Approved
0.7027	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD7119	Phase 2
0.7021	Intermediate Similarity	NPD4359	Approved
0.7019	Intermediate Similarity	NPD6234	Discontinued
0.7015	Intermediate Similarity	NPD5535	Approved
0.7015	Intermediate Similarity	NPD7635	Approved
0.7015	Intermediate Similarity	NPD7843	Approved
0.7013	Intermediate Similarity	NPD7447	Phase 1
0.7006	Intermediate Similarity	NPD6797	Phase 2
0.7	Intermediate Similarity	NPD7266	Discontinued
0.7	Intermediate Similarity	NPD2346	Discontinued
0.6993	Remote Similarity	NPD558	Phase 2
0.6986	Remote Similarity	NPD4474	Approved
0.6986	Remote Similarity	NPD6233	Phase 2
0.6986	Remote Similarity	NPD4475	Approved
0.6985	Remote Similarity	NPD6387	Discontinued
0.6981	Remote Similarity	NPD7819	Suspended
0.698	Remote Similarity	NPD5588	Approved
0.698	Remote Similarity	NPD3748	Approved
0.698	Remote Similarity	NPD5960	Phase 3
0.6978	Remote Similarity	NPD6516	Phase 2
0.6978	Remote Similarity	NPD5846	Approved
0.6978	Remote Similarity	NPD1778	Approved
0.6972	Remote Similarity	NPD6696	Suspended
0.6972	Remote Similarity	NPD1283	Approved
0.6968	Remote Similarity	NPD6273	Approved
0.6966	Remote Similarity	NPD7095	Approved
0.6964	Remote Similarity	NPD7251	Discontinued
0.6951	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.695	Remote Similarity	NPD1608	Approved
0.6939	Remote Similarity	NPD2979	Phase 3
0.6939	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD3620	Phase 2
0.6937	Remote Similarity	NPD5402	Approved
0.6923	Remote Similarity	NPD7808	Phase 3
0.6923	Remote Similarity	NPD3266	Approved
0.6923	Remote Similarity	NPD6362	Approved
0.6923	Remote Similarity	NPD3267	Approved
0.6917	Remote Similarity	NPD4750	Phase 3
0.6908	Remote Similarity	NPD1652	Phase 2
0.6908	Remote Similarity	NPD5062	Approved
0.6908	Remote Similarity	NPD5061	Approved
0.6901	Remote Similarity	NPD6582	Phase 2
0.6901	Remote Similarity	NPD6583	Phase 3
0.6897	Remote Similarity	NPD600	Approved
0.6897	Remote Similarity	NPD596	Approved
0.6894	Remote Similarity	NPD2342	Discontinued
0.6894	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.689	Remote Similarity	NPD7229	Phase 3
0.6889	Remote Similarity	NPD1138	Approved
0.6887	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD6005	Phase 3
0.6887	Remote Similarity	NPD6004	Phase 3
0.6887	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD6002	Phase 3
0.6886	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD422	Phase 1
0.6875	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD4624	Approved
0.6875	Remote Similarity	NPD2798	Approved
0.6871	Remote Similarity	NPD840	Approved
0.6871	Remote Similarity	NPD4870	Approved
0.6871	Remote Similarity	NPD839	Approved
0.6867	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD6559	Discontinued
0.6864	Remote Similarity	NPD7240	Approved
0.6863	Remote Similarity	NPD7003	Approved
0.6861	Remote Similarity	NPD2557	Approved
0.6859	Remote Similarity	NPD6090	Discontinued
0.6855	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD2157	Approved
0.6842	Remote Similarity	NPD2897	Discontinued
0.6842	Remote Similarity	NPD2424	Discontinued
0.6842	Remote Similarity	NPD1549	Phase 2
0.6838	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD1894	Discontinued
0.6835	Remote Similarity	NPD3091	Approved
0.6835	Remote Similarity	NPD1182	Approved
0.6832	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD3818	Discontinued
0.6824	Remote Similarity	NPD3597	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD5837	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD2935	Discontinued

Structure

NPC284232 OpenBabel07101718192D 25 29 0 0 1 0 0 0 0 0999 V2000 3.1631 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 0.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6744 1.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8084 -0.7313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4311 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 0.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8084 0.2687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0576 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 0.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 -1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 1.2029 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 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 4 11 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 21 1 6 0 0 0 13 18 1 0 0 0 0 13 22 1 1 0 0 0 14 19 1 0 0 0 0 14 23 1 6 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16099380
ChEMBL	CHEMBL463697
ZINC

Physicochemical Properties

Molecular Weight:	338.12
ALogP:	-1.4969
MLogP:	3.11
XLogP:	2.505
# Rotatable Bonds:	3
Polar Surface Area:	79.15
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	25

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