NPASS Natural Product

Natural Product: NPC92932

Natural Product ID:	NPC92932
Common Name:	Decaspirone B
IUPAC Name:
Synonyms:
Molecular Formula:	C22H20O6
Standard InCHIKey:	FRGSTJNRJXFGJS-NUJXGAOPSA-N
Standard InCHI:	InChI=1S/C22H20O6/c1-12(23)26-16-9-8-15(25)21-20(16)14(24)10-11-22(21)27-17-6-2-4-13-5-3-7-18(28-22)19(13)17/h2-11,14-16,20-21,24-25H,1H3/t14-,15+,16-,20+,21+/m0/s1
Canonical SMILES:	CC(=O)O[C@H]1C=C[C@H]([C@@H]2[C@@H]1[C@@H](O)C=CC12Oc2cccc3c2c(O1)ccc3)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO22585	Thymus striatus	Species	Lamiaceae	Eukaryota	UNPD*
NPO17178	Labisia pumila	Species	Primulaceae	Eukaryota	UNPD*
NPO22001	Delphinus longirostris	Species	Delphinidae	Eukaryota	UNPD*
NPO22325	Caesalpinia sepiaria	Species	Fabaceae	Eukaryota	UNPD*
NPO19400	Cussonia natalensis	Species	Araliaceae	Eukaryota	UNPD*
NPO27979	Guatteria friesiana	Species	Annonaceae	Eukaryota	UNPD*
NPO21512	Salvia cardiophylla	Species	Lamiaceae	Eukaryota	UNPD*
NPO8904	Oreocnide frutescens	Species	Urticaceae	Eukaryota	UNPD*
NPO21877	Aplysilla violacea	Species	Darwinellidae	Eukaryota	UNPD*
NPO26602	Ranunculus cantoniensis	Species	Ranunculaceae	Eukaryota	UNPD*
NPO28371	Echinodontium japonicum	Species	Echinodontiaceae	Eukaryota	UNPD*
NPO10812	Beaucarnea hookeri	Species	Asparagaceae	Eukaryota	UNPD*
NPO18233	Capparis sepiaria	Species	Capparaceae	Eukaryota	UNPD*
NPO22387	Guettarda speciosa	Species	Rubiaceae	Eukaryota	UNPD*
NPO20220	Coccus citri	Species	Coccidae	Eukaryota	UNPD*
NPO23179	Penicillium paraherquei	Species	Aspergillaceae	Eukaryota	UNPD*
NPO20542	Vellozia phalocarpa	Species	Velloziaceae	Eukaryota	UNPD*
NPO21115	Crepidiastrum keiskeanum	Species	Asteraceae	Eukaryota	UNPD*
NPO20809	Sarcophyton trocheliophorum	Species	Alcyoniidae	Eukaryota	UNPD*
NPO22513	Decaisnella thyridioides	Species	Massarinaceae	Eukaryota	UNPD*
NPO2283	Epichloe uncinata	Species	Clavicipitaceae	Eukaryota	UNPD*

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
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	19	mm	17190439

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 NPC92932 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	197
0.1-0.2	1000
0.2-0.3	2047
0.3-0.4	5246
0.4-0.5	8290
0.5-0.6	2981
0.6-0.7	7294
0.7-0.8	3796
0.8-0.85	28
0.85-0.9	5
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9612	High Similarity	NPC284232
0.9281	High Similarity	NPC11800
0.9281	High Similarity	NPC206579
0.9065	High Similarity	NPC257404
0.903	High Similarity	NPC138940
0.8993	High Similarity	NPC197461
0.8913	High Similarity	NPC193920
0.8857	High Similarity	NPC133585
0.8705	High Similarity	NPC472151
0.8671	High Similarity	NPC97662
0.8472	Intermediate Similarity	NPC472154
0.8414	Intermediate Similarity	NPC288531
0.8276	Intermediate Similarity	NPC472155
0.8276	Intermediate Similarity	NPC151704
0.8219	Intermediate Similarity	NPC271076
0.8219	Intermediate Similarity	NPC173630
0.8209	Intermediate Similarity	NPC188997
0.8163	Intermediate Similarity	NPC471608
0.8156	Intermediate Similarity	NPC473107
0.8148	Intermediate Similarity	NPC261992
0.8112	Intermediate Similarity	NPC134260
0.8112	Intermediate Similarity	NPC124149
0.8095	Intermediate Similarity	NPC23807
0.8085	Intermediate Similarity	NPC24913
0.8085	Intermediate Similarity	NPC177712
0.8079	Intermediate Similarity	NPC476452
0.8077	Intermediate Similarity	NPC470837
0.8058	Intermediate Similarity	NPC472797
0.8054	Intermediate Similarity	NPC325720
0.8054	Intermediate Similarity	NPC316676
0.8042	Intermediate Similarity	NPC115861
0.8042	Intermediate Similarity	NPC475628
0.8041	Intermediate Similarity	NPC47152
0.8015	Intermediate Similarity	NPC248786
0.8014	Intermediate Similarity	NPC145319
0.8014	Intermediate Similarity	NPC20631
0.8014	Intermediate Similarity	NPC93640
0.8	Intermediate Similarity	NPC472156
0.7986	Intermediate Similarity	NPC38604
0.7986	Intermediate Similarity	NPC211179
0.7986	Intermediate Similarity	NPC131198
0.7974	Intermediate Similarity	NPC473425
0.7973	Intermediate Similarity	NPC306816
0.7973	Intermediate Similarity	NPC101255
0.7973	Intermediate Similarity	NPC43716
0.7973	Intermediate Similarity	NPC226722
0.7973	Intermediate Similarity	NPC475719
0.7973	Intermediate Similarity	NPC138915
0.7971	Intermediate Similarity	NPC26879
0.7971	Intermediate Similarity	NPC283049
0.7971	Intermediate Similarity	NPC230479
0.7971	Intermediate Similarity	NPC50315
0.797	Intermediate Similarity	NPC283616
0.7961	Intermediate Similarity	NPC215060
0.7961	Intermediate Similarity	NPC53587
0.7961	Intermediate Similarity	NPC302610
0.7961	Intermediate Similarity	NPC169404
0.7961	Intermediate Similarity	NPC233467
0.7961	Intermediate Similarity	NPC176186
0.7961	Intermediate Similarity	NPC21902
0.7961	Intermediate Similarity	NPC476352
0.7959	Intermediate Similarity	NPC472451
0.7947	Intermediate Similarity	NPC473989
0.7945	Intermediate Similarity	NPC210192
0.7945	Intermediate Similarity	NPC108674
0.7945	Intermediate Similarity	NPC5155
0.7945	Intermediate Similarity	NPC473499
0.7945	Intermediate Similarity	NPC138149
0.7943	Intermediate Similarity	NPC475067
0.7933	Intermediate Similarity	NPC303013
0.7933	Intermediate Similarity	NPC474940
0.7933	Intermediate Similarity	NPC93924
0.7933	Intermediate Similarity	NPC159697
0.7933	Intermediate Similarity	NPC474795
0.7933	Intermediate Similarity	NPC95990
0.7933	Intermediate Similarity	NPC477879
0.7933	Intermediate Similarity	NPC130959
0.7931	Intermediate Similarity	NPC183781
0.7931	Intermediate Similarity	NPC35501
0.7931	Intermediate Similarity	NPC144512
0.7931	Intermediate Similarity	NPC137262
0.7931	Intermediate Similarity	NPC278600
0.7931	Intermediate Similarity	NPC47040
0.7931	Intermediate Similarity	NPC37428
0.7929	Intermediate Similarity	NPC472796
0.7929	Intermediate Similarity	NPC218003
0.7929	Intermediate Similarity	NPC472795
0.7929	Intermediate Similarity	NPC97326
0.7919	Intermediate Similarity	NPC469408
0.7919	Intermediate Similarity	NPC74320
0.7919	Intermediate Similarity	NPC199928
0.7919	Intermediate Similarity	NPC99515
0.7919	Intermediate Similarity	NPC190714
0.7919	Intermediate Similarity	NPC107120
0.7917	Intermediate Similarity	NPC234952
0.7917	Intermediate Similarity	NPC166180
0.7914	Intermediate Similarity	NPC66331
0.7908	Intermediate Similarity	NPC150442
0.7905	Intermediate Similarity	NPC292443
0.7905	Intermediate Similarity	NPC36732
0.7899	Intermediate Similarity	NPC4286
0.7899	Intermediate Similarity	NPC76119
0.7891	Intermediate Similarity	NPC60249
0.7879	Intermediate Similarity	NPC301321
0.7877	Intermediate Similarity	NPC472794
0.7877	Intermediate Similarity	NPC213607
0.7877	Intermediate Similarity	NPC182509
0.7877	Intermediate Similarity	NPC473049
0.7877	Intermediate Similarity	NPC174787
0.7872	Intermediate Similarity	NPC249425
0.7871	Intermediate Similarity	NPC473323
0.7867	Intermediate Similarity	NPC473480
0.7867	Intermediate Similarity	NPC301949
0.7867	Intermediate Similarity	NPC15538
0.7867	Intermediate Similarity	NPC476347
0.7867	Intermediate Similarity	NPC97240
0.7862	Intermediate Similarity	NPC87777
0.7862	Intermediate Similarity	NPC262328
0.7857	Intermediate Similarity	NPC47283
0.7857	Intermediate Similarity	NPC53986
0.7857	Intermediate Similarity	NPC176590
0.7857	Intermediate Similarity	NPC268484
0.7857	Intermediate Similarity	NPC185103
0.7857	Intermediate Similarity	NPC38664
0.7857	Intermediate Similarity	NPC274717
0.7857	Intermediate Similarity	NPC39064
0.7852	Intermediate Similarity	NPC193193
0.7852	Intermediate Similarity	NPC106126
0.7852	Intermediate Similarity	NPC108994
0.7847	Intermediate Similarity	NPC15109
0.7847	Intermediate Similarity	NPC51087
0.7847	Intermediate Similarity	NPC281169
0.7847	Intermediate Similarity	NPC11727
0.7847	Intermediate Similarity	NPC291119
0.7847	Intermediate Similarity	NPC238243
0.7847	Intermediate Similarity	NPC161856
0.7847	Intermediate Similarity	NPC79957
0.7847	Intermediate Similarity	NPC185778
0.7843	Intermediate Similarity	NPC474442
0.7838	Intermediate Similarity	NPC473044
0.7836	Intermediate Similarity	NPC329980
0.7832	Intermediate Similarity	NPC211352
0.7832	Intermediate Similarity	NPC294166
0.7832	Intermediate Similarity	NPC115022
0.7832	Intermediate Similarity	NPC185777
0.7832	Intermediate Similarity	NPC215037
0.7832	Intermediate Similarity	NPC77196
0.7829	Intermediate Similarity	NPC205501
0.7829	Intermediate Similarity	NPC162976
0.7829	Intermediate Similarity	NPC118000
0.7829	Intermediate Similarity	NPC477381
0.7826	Intermediate Similarity	NPC140521
0.7826	Intermediate Similarity	NPC61685
0.7823	Intermediate Similarity	NPC472791
0.7823	Intermediate Similarity	NPC76871
0.7823	Intermediate Similarity	NPC472792
0.7817	Intermediate Similarity	NPC280653
0.7817	Intermediate Similarity	NPC207892
0.7817	Intermediate Similarity	NPC300875
0.7817	Intermediate Similarity	NPC17343
0.7817	Intermediate Similarity	NPC268917
0.7817	Intermediate Similarity	NPC206224
0.7817	Intermediate Similarity	NPC293203
0.7817	Intermediate Similarity	NPC68205
0.7817	Intermediate Similarity	NPC244888
0.7817	Intermediate Similarity	NPC150011
0.7817	Intermediate Similarity	NPC472590
0.7817	Intermediate Similarity	NPC118683
0.7817	Intermediate Similarity	NPC12875
0.7817	Intermediate Similarity	NPC118114
0.7817	Intermediate Similarity	NPC228369
0.7817	Intermediate Similarity	NPC196765
0.7817	Intermediate Similarity	NPC211413
0.7817	Intermediate Similarity	NPC476166
0.7817	Intermediate Similarity	NPC164574
0.7817	Intermediate Similarity	NPC153019
0.7817	Intermediate Similarity	NPC236014
0.7817	Intermediate Similarity	NPC121376
0.7817	Intermediate Similarity	NPC129784
0.7817	Intermediate Similarity	NPC129106
0.7817	Intermediate Similarity	NPC164804
0.7815	Intermediate Similarity	NPC291326
0.7815	Intermediate Similarity	NPC142863
0.7815	Intermediate Similarity	NPC474856
0.7815	Intermediate Similarity	NPC290902
0.7815	Intermediate Similarity	NPC474834
0.7815	Intermediate Similarity	NPC117788
0.7815	Intermediate Similarity	NPC187398
0.7815	Intermediate Similarity	NPC476348
0.7815	Intermediate Similarity	NPC175976
0.781	Intermediate Similarity	NPC473464
0.781	Intermediate Similarity	NPC476332
0.781	Intermediate Similarity	NPC302211
0.7808	Intermediate Similarity	NPC471388
0.7808	Intermediate Similarity	NPC32630
0.7808	Intermediate Similarity	NPC265335
0.7801	Intermediate Similarity	NPC93962
0.7801	Intermediate Similarity	NPC16577
0.7801	Intermediate Similarity	NPC96719
0.7801	Intermediate Similarity	NPC222108

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC92932 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	204
0.1-0.2	831
0.2-0.3	1364
0.3-0.4	2446
0.4-0.5	2180
0.5-0.6	1316
0.6-0.7	667
0.7-0.8	152
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8014	Intermediate Similarity	NPD4060	Phase 1
0.7947	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD4908	Phase 1
0.7801	Intermediate Similarity	NPD4625	Phase 3
0.7794	Intermediate Similarity	NPD3496	Discontinued
0.777	Intermediate Similarity	NPD2797	Approved
0.7762	Intermediate Similarity	NPD4140	Approved
0.7746	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7737	Intermediate Similarity	NPD1611	Approved
0.7737	Intermediate Similarity	NPD1091	Approved
0.7724	Intermediate Similarity	NPD7097	Phase 1
0.7687	Intermediate Similarity	NPD5762	Approved
0.7687	Intermediate Similarity	NPD5763	Approved
0.766	Intermediate Similarity	NPD2861	Phase 2
0.7647	Intermediate Similarity	NPD5585	Approved
0.7626	Intermediate Similarity	NPD4749	Approved
0.7625	Intermediate Similarity	NPD3787	Discontinued
0.7622	Intermediate Similarity	NPD3268	Approved
0.7622	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD1610	Phase 2
0.7586	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD5124	Phase 1
0.7584	Intermediate Similarity	NPD6674	Discontinued
0.7564	Intermediate Similarity	NPD37	Approved
0.7546	Intermediate Similarity	NPD3751	Discontinued
0.7534	Intermediate Similarity	NPD6653	Approved
0.7532	Intermediate Similarity	NPD4967	Phase 2
0.7532	Intermediate Similarity	NPD4966	Approved
0.7532	Intermediate Similarity	NPD4965	Approved
0.7517	Intermediate Similarity	NPD1613	Approved
0.7517	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD8455	Phase 2
0.75	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD6671	Approved
0.7481	Intermediate Similarity	NPD709	Approved
0.7467	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD6355	Discontinued
0.7464	Intermediate Similarity	NPD4626	Approved
0.7453	Intermediate Similarity	NPD7199	Phase 2
0.7451	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD3225	Approved
0.7439	Intermediate Similarity	NPD7228	Approved
0.7432	Intermediate Similarity	NPD7033	Discontinued
0.7432	Intermediate Similarity	NPD4108	Discontinued
0.7419	Intermediate Similarity	NPD1653	Approved
0.7417	Intermediate Similarity	NPD3750	Approved
0.7417	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD5844	Phase 1
0.7391	Intermediate Similarity	NPD5691	Approved
0.7388	Intermediate Similarity	NPD5535	Approved
0.7383	Intermediate Similarity	NPD6032	Approved
0.7379	Intermediate Similarity	NPD6798	Discontinued
0.7376	Intermediate Similarity	NPD4359	Approved
0.7376	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD1778	Approved
0.7333	Intermediate Similarity	NPD7266	Discontinued
0.7333	Intermediate Similarity	NPD2346	Discontinued
0.7329	Intermediate Similarity	NPD6233	Phase 2
0.7329	Intermediate Similarity	NPD6234	Discontinued
0.7324	Intermediate Similarity	NPD1283	Approved
0.7319	Intermediate Similarity	NPD1548	Phase 1
0.731	Intermediate Similarity	NPD7095	Approved
0.7305	Intermediate Similarity	NPD2231	Phase 2
0.7305	Intermediate Similarity	NPD1608	Approved
0.7305	Intermediate Similarity	NPD2235	Phase 2
0.7296	Intermediate Similarity	NPD7819	Suspended
0.729	Intermediate Similarity	NPD6273	Approved
0.7279	Intermediate Similarity	NPD2979	Phase 3
0.7278	Intermediate Similarity	NPD8313	Approved
0.7278	Intermediate Similarity	NPD8312	Approved
0.7273	Intermediate Similarity	NPD3266	Approved
0.7273	Intermediate Similarity	NPD290	Approved
0.7273	Intermediate Similarity	NPD6362	Approved
0.7273	Intermediate Similarity	NPD3267	Approved
0.7267	Intermediate Similarity	NPD6100	Approved
0.7267	Intermediate Similarity	NPD6099	Approved
0.7256	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD1652	Phase 2
0.7234	Intermediate Similarity	NPD422	Phase 1
0.7219	Intermediate Similarity	NPD6005	Phase 3
0.7219	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6002	Phase 3
0.7219	Intermediate Similarity	NPD6004	Phase 3
0.7211	Intermediate Similarity	NPD4870	Approved
0.72	Intermediate Similarity	NPD3748	Approved
0.7197	Intermediate Similarity	NPD968	Approved
0.7195	Intermediate Similarity	NPD7229	Phase 3
0.7192	Intermediate Similarity	NPD3027	Phase 3
0.719	Intermediate Similarity	NPD3892	Phase 2
0.719	Intermediate Similarity	NPD7003	Approved
0.7186	Intermediate Similarity	NPD7054	Approved
0.7172	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD2897	Discontinued
0.717	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7240	Approved
0.7152	Intermediate Similarity	NPD2438	Suspended
0.7152	Intermediate Similarity	NPD4476	Approved
0.7152	Intermediate Similarity	NPD4477	Approved
0.7152	Intermediate Similarity	NPD2935	Discontinued
0.7143	Intermediate Similarity	NPD7985	Registered
0.7143	Intermediate Similarity	NPD7074	Phase 3
0.7143	Intermediate Similarity	NPD7472	Approved
0.7143	Intermediate Similarity	NPD5402	Approved
0.7134	Intermediate Similarity	NPD6959	Discontinued
0.7133	Intermediate Similarity	NPD5327	Phase 3
0.7123	Intermediate Similarity	NPD6832	Phase 2
0.7122	Intermediate Similarity	NPD7644	Approved
0.7114	Intermediate Similarity	NPD4618	Approved
0.7114	Intermediate Similarity	NPD4622	Approved
0.7114	Intermediate Similarity	NPD1933	Approved
0.7114	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD5735	Approved
0.7113	Intermediate Similarity	NPD1281	Approved
0.7101	Intermediate Similarity	NPD6797	Phase 2
0.7099	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD17	Approved
0.7086	Intermediate Similarity	NPD4308	Phase 3
0.7086	Intermediate Similarity	NPD2154	Approved
0.7086	Intermediate Similarity	NPD2156	Approved
0.7086	Intermediate Similarity	NPD2155	Approved
0.7071	Intermediate Similarity	NPD1894	Discontinued
0.7063	Intermediate Similarity	NPD2232	Approved
0.7063	Intermediate Similarity	NPD2233	Approved
0.7063	Intermediate Similarity	NPD2230	Approved
0.7059	Intermediate Similarity	NPD6559	Discontinued
0.7059	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7251	Discontinued
0.7055	Intermediate Similarity	NPD2237	Approved
0.7051	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD7041	Phase 2
0.7051	Intermediate Similarity	NPD6087	Phase 1
0.705	Intermediate Similarity	NPD7340	Approved
0.7047	Intermediate Similarity	NPD2238	Phase 2
0.7044	Intermediate Similarity	NPD7458	Discontinued
0.7034	Intermediate Similarity	NPD1203	Approved
0.7027	Intermediate Similarity	NPD1048	Approved
0.7025	Intermediate Similarity	NPD5403	Approved
0.7025	Intermediate Similarity	NPD7427	Discontinued
0.7021	Intermediate Similarity	NPD3444	Approved
0.7021	Intermediate Similarity	NPD3445	Approved
0.7021	Intermediate Similarity	NPD3443	Approved
0.702	Intermediate Similarity	NPD5688	Approved
0.702	Intermediate Similarity	NPD5689	Approved
0.7018	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD7808	Phase 3
0.7014	Intermediate Similarity	NPD3685	Discontinued
0.7013	Intermediate Similarity	NPD5177	Phase 3
0.6994	Remote Similarity	NPD7768	Phase 2
0.6993	Remote Similarity	NPD1535	Discovery
0.6993	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD3705	Approved
0.6987	Remote Similarity	NPD6666	Approved
0.6987	Remote Similarity	NPD5058	Phase 3
0.6987	Remote Similarity	NPD6667	Approved
0.6986	Remote Similarity	NPD2798	Approved
0.6986	Remote Similarity	NPD6584	Phase 3
0.6986	Remote Similarity	NPD5647	Approved
0.6982	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.698	Remote Similarity	NPD8032	Phase 2
0.698	Remote Similarity	NPD4062	Phase 3
0.6978	Remote Similarity	NPD7157	Approved
0.6975	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2799	Discontinued
0.6972	Remote Similarity	NPD5126	Approved
0.6972	Remote Similarity	NPD5125	Phase 3
0.6968	Remote Similarity	NPD4628	Phase 3
0.6968	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD4110	Phase 3
0.6968	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD8651	Approved
0.6963	Remote Similarity	NPD2684	Approved
0.6962	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD7411	Suspended
0.6957	Remote Similarity	NPD1398	Phase 1
0.6957	Remote Similarity	NPD5283	Phase 1
0.6954	Remote Similarity	NPD6353	Approved
0.6954	Remote Similarity	NPD4097	Suspended
0.6954	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD2424	Discontinued
0.6944	Remote Similarity	NPD1481	Phase 2
0.6944	Remote Similarity	NPD9717	Approved
0.6943	Remote Similarity	NPD7213	Phase 3
0.6943	Remote Similarity	NPD7212	Phase 2
0.694	Remote Similarity	NPD3134	Approved
0.6939	Remote Similarity	NPD5736	Approved
0.6939	Remote Similarity	NPD1712	Approved
0.6937	Remote Similarity	NPD3226	Approved
0.6933	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD2203	Discontinued
0.6928	Remote Similarity	NPD2531	Phase 2
0.6928	Remote Similarity	NPD1551	Phase 2
0.6923	Remote Similarity	NPD3847	Discontinued
0.6923	Remote Similarity	NPD2677	Approved

Structure

CID92932 OpenBabel06191715432D 28 32 0 0 1 0 0 0 0 0999 V2000 -5.0198 -2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -3.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4877 -2.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0374 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 0.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6554 -1.9724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3552 -1.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0024 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -1.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 -0.5308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6730 -1.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8408 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8872 -0.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 0.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 -2.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -1.4636 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 12 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 5 13 1 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 12 23 2 0 0 0 0 12 26 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 24 1 1 0 0 0 15 21 1 0 0 0 0 15 25 1 6 0 0 0 16 20 1 0 0 0 0 16 26 1 6 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16099372
ChEMBL	CHEMBL465141
ZINC

Physicochemical Properties

Molecular Weight:	380.13
ALogP:	-1.1178
MLogP:	3.22
XLogP:	3.245
# Rotatable Bonds:	5
Polar Surface Area:	85.22
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	28

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