NPASS Natural Product

Natural Product: NPC7025

Natural Product ID:	NPC7025
Common Name:	Rubrofusarin B
IUPAC Name:	5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
Synonyms:
Molecular Formula:	C16H14O5
Standard InCHIKey:	HFPQKJMLIONCGP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H14O5/c1-8-4-11(17)15-13(21-8)6-9-5-10(19-2)7-12(20-3)14(9)16(15)18/h4-7,18H,1-3H3
Canonical SMILES:	COc1cc(OC)c2c(c1)cc1c(c2O)c(=O)cc(o1)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO4343	Guanomyces polythrix	Species	NA	Eukaryota	PMID[10869195]
NPO24042	Pseudococcus cryptus	Species	Pseudococcidae	Eukaryota	UNPD*
NPO24266	Aspergillus fonsecaeus	Species	Aspergillaceae	Eukaryota	UNPD*
NPO17535	Scabrethia scabra	Species	Asteraceae	Eukaryota	UNPD*
NPO14234	Aspergillus niger	Species	Aspergillaceae	Eukaryota	PMID[15556711]
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	PMID[16038560]
NPO24266	Aspergillus fonsecaeus	Species	Aspergillaceae	Eukaryota	PMID[4837062]
NPO27902	Alternaria alternata	Species	Pleosporaceae	Eukaryota	PMID[22377027]
NPO5304	Aspergillus tubingensis	Species	Aspergillaceae	Eukaryota	PMID[26610038]
NPO5304	Aspergillus tubingensis	Species	Aspergillaceae	Eukaryota	PMID[20506081]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Individual Protein	1
Organism	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT965	Organism	Amaranthus hypochondriacus	Amaranthus hypochondriacus	IC50	=	13000	nM	10869195
NPT117	Organism	Echinochloa crus-galli	Echinochloa crus-galli	IC50	=	87000	nM	10869195
NPT967	Individual Protein	Xanthine dehydrogenase	Homo sapiens	IC50	=	16800	nM	16038560
NPT2	Others	Unspecified		IC50	=	15700	nM	16038560

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 NPC7025 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	308
0.1-0.2	1336
0.2-0.3	2414
0.3-0.4	6045
0.4-0.5	7086
0.5-0.6	2490
0.6-0.7	4050
0.7-0.8	3910
0.8-0.85	1689
0.85-0.9	1329
0.9-0.95	204
0.95-1	28

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC27221
1.0	High Similarity	NPC256672
0.993	High Similarity	NPC100985
0.993	High Similarity	NPC288036
0.993	High Similarity	NPC97028
0.993	High Similarity	NPC65589
0.993	High Similarity	NPC97029
0.993	High Similarity	NPC158338
0.9929	High Similarity	NPC123202
0.9929	High Similarity	NPC7943
0.9929	High Similarity	NPC22005
0.9658	High Similarity	NPC169990
0.9658	High Similarity	NPC210942
0.9658	High Similarity	NPC329844
0.9655	High Similarity	NPC232645
0.9655	High Similarity	NPC258249
0.9655	High Similarity	NPC474417
0.9655	High Similarity	NPC149526
0.9655	High Similarity	NPC72958
0.9589	High Similarity	NPC87708
0.9586	High Similarity	NPC325983
0.9577	High Similarity	NPC189650
0.9574	High Similarity	NPC94076
0.9574	High Similarity	NPC182255
0.9521	High Similarity	NPC478148
0.9514	High Similarity	NPC34802
0.9507	High Similarity	NPC84266
0.9507	High Similarity	NPC310340
0.9456	High Similarity	NPC154683
0.9456	High Similarity	NPC40356
0.9452	High Similarity	NPC202595
0.9392	High Similarity	NPC214632
0.9384	High Similarity	NPC329933
0.9384	High Similarity	NPC291049
0.9384	High Similarity	NPC65775
0.9384	High Similarity	NPC10027
0.9384	High Similarity	NPC233267
0.9379	High Similarity	NPC312929
0.9379	High Similarity	NPC245584
0.9379	High Similarity	NPC126767
0.9379	High Similarity	NPC56433
0.9379	High Similarity	NPC289042
0.9379	High Similarity	NPC118027
0.9379	High Similarity	NPC190648
0.9366	High Similarity	NPC275734
0.9338	High Similarity	NPC186325
0.9324	High Similarity	NPC217447
0.9324	High Similarity	NPC175978
0.9315	High Similarity	NPC105415
0.9296	High Similarity	NPC18260
0.9296	High Similarity	NPC78913
0.9276	High Similarity	NPC273467
0.9276	High Similarity	NPC66288
0.9276	High Similarity	NPC189552
0.9272	High Similarity	NPC177650
0.9267	High Similarity	NPC180924
0.9257	High Similarity	NPC133856
0.9252	High Similarity	NPC269420
0.9247	High Similarity	NPC259632
0.9231	High Similarity	NPC241100
0.9231	High Similarity	NPC159275
0.9225	High Similarity	NPC201395
0.9216	High Similarity	NPC294965
0.9211	High Similarity	NPC312993
0.9205	High Similarity	NPC246647
0.9205	High Similarity	NPC96342
0.9205	High Similarity	NPC164110
0.9205	High Similarity	NPC212967
0.9195	High Similarity	NPC273483
0.9189	High Similarity	NPC158866
0.9189	High Similarity	NPC227122
0.9189	High Similarity	NPC470568
0.9189	High Similarity	NPC255641
0.9189	High Similarity	NPC147735
0.9189	High Similarity	NPC294646
0.9189	High Similarity	NPC290954
0.9184	High Similarity	NPC37139
0.9178	High Similarity	NPC225173
0.9178	High Similarity	NPC267509
0.9178	High Similarity	NPC196114
0.9178	High Similarity	NPC290133
0.9178	High Similarity	NPC187282
0.9178	High Similarity	NPC163846
0.9178	High Similarity	NPC24136
0.9178	High Similarity	NPC473927
0.9172	High Similarity	NPC19896
0.9172	High Similarity	NPC11700
0.9167	High Similarity	NPC110969
0.9167	High Similarity	NPC282300
0.9161	High Similarity	NPC301217
0.9161	High Similarity	NPC303633
0.9161	High Similarity	NPC96565
0.9161	High Similarity	NPC53181
0.9161	High Similarity	NPC220062
0.9161	High Similarity	NPC216978
0.9161	High Similarity	NPC217186
0.9161	High Similarity	NPC55018
0.9156	High Similarity	NPC270837
0.9149	High Similarity	NPC242712
0.9145	High Similarity	NPC85121
0.9145	High Similarity	NPC55443
0.9145	High Similarity	NPC18699
0.9139	High Similarity	NPC146211
0.9133	High Similarity	NPC95842
0.9133	High Similarity	NPC93552
0.9133	High Similarity	NPC193200
0.9133	High Similarity	NPC178964
0.9133	High Similarity	NPC280530
0.9133	High Similarity	NPC135522
0.9128	High Similarity	NPC470569
0.9122	High Similarity	NPC474052
0.9122	High Similarity	NPC473978
0.9116	High Similarity	NPC125801
0.9116	High Similarity	NPC71055
0.911	High Similarity	NPC224714
0.911	High Similarity	NPC216538
0.911	High Similarity	NPC234629
0.911	High Similarity	NPC273538
0.911	High Similarity	NPC311741
0.911	High Similarity	NPC32470
0.911	High Similarity	NPC271288
0.911	High Similarity	NPC134621
0.9103	High Similarity	NPC11561
0.9103	High Similarity	NPC226636
0.9103	High Similarity	NPC473042
0.9103	High Similarity	NPC73028
0.9103	High Similarity	NPC1534
0.9097	High Similarity	NPC469664
0.9097	High Similarity	NPC270883
0.9097	High Similarity	NPC261227
0.9097	High Similarity	NPC172986
0.9097	High Similarity	NPC150522
0.9091	High Similarity	NPC57380
0.9091	High Similarity	NPC131130
0.9085	High Similarity	NPC231772
0.9085	High Similarity	NPC127447
0.9085	High Similarity	NPC470810
0.9085	High Similarity	NPC194281
0.9085	High Similarity	NPC473887
0.9085	High Similarity	NPC47815
0.9085	High Similarity	NPC29353
0.9085	High Similarity	NPC124784
0.9085	High Similarity	NPC174999
0.9085	High Similarity	NPC234133
0.9079	High Similarity	NPC263483
0.9079	High Similarity	NPC201127
0.9079	High Similarity	NPC44199
0.9079	High Similarity	NPC272196
0.9079	High Similarity	NPC268360
0.9078	High Similarity	NPC125920
0.9073	High Similarity	NPC148938
0.9073	High Similarity	NPC226656
0.9073	High Similarity	NPC66508
0.9073	High Similarity	NPC254351
0.9073	High Similarity	NPC149618
0.9073	High Similarity	NPC89625
0.9067	High Similarity	NPC45934
0.9067	High Similarity	NPC142527
0.906	High Similarity	NPC472633
0.906	High Similarity	NPC295036
0.906	High Similarity	NPC119929
0.906	High Similarity	NPC37348
0.906	High Similarity	NPC150928
0.9048	High Similarity	NPC473132
0.9048	High Similarity	NPC473135
0.9048	High Similarity	NPC178343
0.9048	High Similarity	NPC130176
0.9048	High Similarity	NPC124729
0.9048	High Similarity	NPC237208
0.9048	High Similarity	NPC306488
0.9048	High Similarity	NPC99454
0.9048	High Similarity	NPC470676
0.9048	High Similarity	NPC5820
0.9048	High Similarity	NPC477955
0.9041	High Similarity	NPC219915
0.9041	High Similarity	NPC190637
0.9041	High Similarity	NPC212932
0.9041	High Similarity	NPC166138
0.9041	High Similarity	NPC18585
0.9041	High Similarity	NPC106985
0.9041	High Similarity	NPC9117
0.9041	High Similarity	NPC158874
0.9041	High Similarity	NPC293053
0.9041	High Similarity	NPC66404
0.9041	High Similarity	NPC24821
0.9041	High Similarity	NPC95123
0.9034	High Similarity	NPC156590
0.9034	High Similarity	NPC118840
0.9034	High Similarity	NPC279650
0.9034	High Similarity	NPC3188
0.9034	High Similarity	NPC4743
0.9034	High Similarity	NPC232021
0.9034	High Similarity	NPC258630
0.9034	High Similarity	NPC324386
0.9034	High Similarity	NPC312391
0.9034	High Similarity	NPC205006
0.9034	High Similarity	NPC105648
0.9034	High Similarity	NPC213322
0.9034	High Similarity	NPC96408
0.9034	High Similarity	NPC103362

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC7025 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	332
0.1-0.2	973
0.2-0.3	1449
0.3-0.4	2516
0.4-0.5	2000
0.5-0.6	1157
0.6-0.7	510
0.7-0.8	165
0.8-0.85	34
0.85-0.9	23
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.911	High Similarity	NPD4378	Clinical (unspecified phase)
0.9026	High Similarity	NPD6959	Discontinued
0.8882	High Similarity	NPD7819	Suspended
0.8828	High Similarity	NPD970	Clinical (unspecified phase)
0.8759	High Similarity	NPD1552	Clinical (unspecified phase)
0.8759	High Similarity	NPD1550	Clinical (unspecified phase)
0.8758	High Similarity	NPD2393	Clinical (unspecified phase)
0.875	High Similarity	NPD1510	Phase 2
0.8741	High Similarity	NPD1607	Approved
0.8725	High Similarity	NPD7410	Clinical (unspecified phase)
0.8699	High Similarity	NPD1549	Phase 2
0.8658	High Similarity	NPD1511	Approved
0.8621	High Similarity	NPD1509	Clinical (unspecified phase)
0.8608	High Similarity	NPD6232	Discontinued
0.8601	High Similarity	NPD1240	Approved
0.86	High Similarity	NPD2532	Approved
0.86	High Similarity	NPD2534	Approved
0.86	High Similarity	NPD2533	Approved
0.8581	High Similarity	NPD8443	Clinical (unspecified phase)
0.8581	High Similarity	NPD3750	Approved
0.8571	High Similarity	NPD1934	Approved
0.8562	High Similarity	NPD7473	Discontinued
0.8562	High Similarity	NPD2796	Approved
0.8543	High Similarity	NPD1512	Approved
0.8516	High Similarity	NPD2801	Approved
0.8442	Intermediate Similarity	NPD4380	Phase 2
0.8411	Intermediate Similarity	NPD7390	Discontinued
0.8389	Intermediate Similarity	NPD2800	Approved
0.8387	Intermediate Similarity	NPD7411	Suspended
0.8377	Intermediate Similarity	NPD3226	Approved
0.8354	Intermediate Similarity	NPD7075	Discontinued
0.8354	Intermediate Similarity	NPD3749	Approved
0.8311	Intermediate Similarity	NPD6100	Approved
0.8311	Intermediate Similarity	NPD6099	Approved
0.8291	Intermediate Similarity	NPD7768	Phase 2
0.828	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8267	Intermediate Similarity	NPD1243	Approved
0.8255	Intermediate Similarity	NPD2346	Discontinued
0.8243	Intermediate Similarity	NPD3748	Approved
0.8232	Intermediate Similarity	NPD5844	Phase 1
0.8217	Intermediate Similarity	NPD6801	Discontinued
0.8205	Intermediate Similarity	NPD6599	Discontinued
0.8188	Intermediate Similarity	NPD1551	Phase 2
0.8176	Intermediate Similarity	NPD3882	Suspended
0.8138	Intermediate Similarity	NPD4625	Phase 3
0.8125	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8113	Intermediate Similarity	NPD3817	Phase 2
0.8084	Intermediate Similarity	NPD6559	Discontinued
0.8067	Intermediate Similarity	NPD2935	Discontinued
0.8052	Intermediate Similarity	NPD6799	Approved
0.8049	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD6166	Phase 2
0.8026	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD5494	Approved
0.8013	Intermediate Similarity	NPD920	Approved
0.8013	Intermediate Similarity	NPD2344	Approved
0.8012	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD6651	Approved
0.7987	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD3818	Discontinued
0.7937	Intermediate Similarity	NPD1465	Phase 2
0.7929	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7927	Intermediate Similarity	NPD5710	Approved
0.7927	Intermediate Similarity	NPD5711	Approved
0.7904	Intermediate Similarity	NPD7054	Approved
0.7885	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7881	Intermediate Similarity	NPD2799	Discontinued
0.7857	Intermediate Similarity	NPD7074	Phase 3
0.7857	Intermediate Similarity	NPD7472	Approved
0.7853	Intermediate Similarity	NPD919	Approved
0.784	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD2313	Discontinued
0.7832	Intermediate Similarity	NPD1201	Approved
0.7829	Intermediate Similarity	NPD5408	Approved
0.7829	Intermediate Similarity	NPD5404	Approved
0.7829	Intermediate Similarity	NPD5405	Approved
0.7829	Intermediate Similarity	NPD5406	Approved
0.7811	Intermediate Similarity	NPD6797	Phase 2
0.7806	Intermediate Similarity	NPD2309	Approved
0.7799	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7765	Intermediate Similarity	NPD7251	Discontinued
0.7758	Intermediate Similarity	NPD1247	Approved
0.7742	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD4628	Phase 3
0.774	Intermediate Similarity	NPD1470	Approved
0.7733	Intermediate Similarity	NPD943	Approved
0.7719	Intermediate Similarity	NPD7808	Phase 3
0.7718	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7706	Intermediate Similarity	NPD5953	Discontinued
0.7673	Intermediate Similarity	NPD5403	Approved
0.7671	Intermediate Similarity	NPD1283	Approved
0.7669	Intermediate Similarity	NPD5402	Approved
0.7665	Intermediate Similarity	NPD3926	Phase 2
0.7658	Intermediate Similarity	NPD5401	Approved
0.7658	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD4308	Phase 3
0.7628	Intermediate Similarity	NPD7003	Approved
0.7622	Intermediate Similarity	NPD1651	Approved
0.7619	Intermediate Similarity	NPD1203	Approved
0.7616	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD7229	Phase 3
0.7603	Intermediate Similarity	NPD4749	Approved
0.76	Intermediate Similarity	NPD3268	Approved
0.7588	Intermediate Similarity	NPD7286	Phase 2
0.7586	Intermediate Similarity	NPD1610	Phase 2
0.7584	Intermediate Similarity	NPD4908	Phase 1
0.7571	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD2798	Approved
0.7561	Intermediate Similarity	NPD4288	Approved
0.7552	Intermediate Similarity	NPD1548	Phase 1
0.7548	Intermediate Similarity	NPD1471	Phase 3
0.7534	Intermediate Similarity	NPD1608	Approved
0.7529	Intermediate Similarity	NPD7177	Discontinued
0.75	Intermediate Similarity	NPD2797	Approved
0.7486	Intermediate Similarity	NPD4363	Phase 3
0.7486	Intermediate Similarity	NPD4360	Phase 2
0.7483	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD411	Approved
0.7473	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD8312	Approved
0.7471	Intermediate Similarity	NPD8313	Approved
0.7466	Intermediate Similarity	NPD1281	Approved
0.7466	Intermediate Similarity	NPD422	Phase 1
0.7466	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD4361	Phase 2
0.7438	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD3751	Discontinued
0.7419	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD7033	Discontinued
0.7415	Intermediate Similarity	NPD3972	Approved
0.7415	Intermediate Similarity	NPD9717	Approved
0.74	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD4307	Phase 2
0.7383	Intermediate Similarity	NPD3267	Approved
0.7383	Intermediate Similarity	NPD3266	Approved
0.7368	Intermediate Similarity	NPD3764	Approved
0.7362	Intermediate Similarity	NPD7458	Discontinued
0.736	Intermediate Similarity	NPD4287	Approved
0.7351	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD6832	Phase 2
0.7346	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD2654	Approved
0.734	Intermediate Similarity	NPD8151	Discontinued
0.7338	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD230	Phase 1
0.7337	Intermediate Similarity	NPD7199	Phase 2
0.7333	Intermediate Similarity	NPD37	Approved
0.7329	Intermediate Similarity	NPD17	Approved
0.7329	Intermediate Similarity	NPD4626	Approved
0.7321	Intermediate Similarity	NPD6234	Discontinued
0.7315	Intermediate Similarity	NPD3225	Approved
0.7305	Intermediate Similarity	NPD4965	Approved
0.7305	Intermediate Similarity	NPD4967	Phase 2
0.7305	Intermediate Similarity	NPD4966	Approved
0.7294	Intermediate Similarity	NPD3787	Discontinued
0.7284	Intermediate Similarity	NPD6273	Approved
0.7283	Intermediate Similarity	NPD6780	Approved
0.7283	Intermediate Similarity	NPD6777	Approved
0.7283	Intermediate Similarity	NPD6779	Approved
0.7283	Intermediate Similarity	NPD6778	Approved
0.7283	Intermediate Similarity	NPD6776	Approved
0.7283	Intermediate Similarity	NPD6781	Approved
0.7283	Intermediate Similarity	NPD6782	Approved
0.7273	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2979	Phase 3
0.7273	Intermediate Similarity	NPD4060	Phase 1
0.7273	Intermediate Similarity	NPD1613	Approved
0.7267	Intermediate Similarity	NPD1164	Approved
0.7255	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD2296	Approved
0.7233	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD5124	Phase 1
0.7226	Intermediate Similarity	NPD447	Suspended
0.7225	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD1876	Approved
0.7173	Intermediate Similarity	NPD7783	Phase 2
0.7173	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD7435	Discontinued
0.7166	Intermediate Similarity	NPD7697	Approved
0.7166	Intermediate Similarity	NPD7698	Approved
0.7166	Intermediate Similarity	NPD7696	Phase 3
0.716	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD2438	Suspended
0.7152	Intermediate Similarity	NPD4476	Approved
0.7152	Intermediate Similarity	NPD4477	Approved
0.7151	Intermediate Similarity	NPD8150	Discontinued

Structure

CID7025 OpenBabel06191715332D 21 23 0 0 0 0 0 0 0 0999 V2000 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 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 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 0.0000 -2.0000 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 2.5981 -1.5000 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 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 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 -0.8660 -0.5000 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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 13 2 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 21 1 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	176918
ChEMBL	CHEMBL469613
ZINC

Physicochemical Properties

Molecular Weight:	286.08
ALogP:	-0.628
MLogP:	2.67
XLogP:	1.524
# Rotatable Bonds:	6
Polar Surface Area:	64.99
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	21

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