NPASS Natural Product

Natural Product: NPC105381

Natural Product ID:	NPC105381
Common Name:	Photinide A
IUPAC Name:	(2Z)-2-[2-hydroxy-1-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]ethylidene]-4-methoxy-1-benzofuran-3-one
Synonyms:	Photinide A
Molecular Formula:	C16H16O6
Standard InCHIKey:	MZQDVARUQLLSGL-DAASKRTBSA-N
Standard InCHI:	InChI=1S/C16H16O6/c1-8-6-12(18)22-15(8)9(7-17)16-14(19)13-10(20-2)4-3-5-11(13)21-16/h3-5,8,15,17H,6-7H2,1-2H3/b16-9-/t8-,15-/m1/s1
Canonical SMILES:	OC/C(=C1/Oc2c(C1=O)c(OC)ccc2)/[C@@H]1OC(=O)C[C@H]1C
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
NPO16031	Pestalotiopsis photiniae	Species	Sporocadaceae	Eukaryota				PMID[19371070]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	24.4	%	12762790

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 NPC105381 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	205
0.1-0.2	896
0.2-0.3	2293
0.3-0.4	5193
0.4-0.5	7934
0.5-0.6	3543
0.6-0.7	4821
0.7-0.8	5165
0.8-0.85	809
0.85-0.9	27
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC10302
0.9783	High Similarity	NPC476164
0.9783	High Similarity	NPC476310
0.8859	High Similarity	NPC470380
0.8803	High Similarity	NPC240147
0.8803	High Similarity	NPC121243
0.8741	High Similarity	NPC287068
0.8733	High Similarity	NPC295650
0.8671	High Similarity	NPC470397
0.8658	High Similarity	NPC228012
0.8639	High Similarity	NPC470216
0.8621	High Similarity	NPC230902
0.8618	High Similarity	NPC301233
0.86	High Similarity	NPC477941
0.8581	High Similarity	NPC71210
0.8562	High Similarity	NPC474542
0.8562	High Similarity	NPC473241
0.8553	High Similarity	NPC275878
0.8543	High Similarity	NPC475717
0.8542	High Similarity	NPC187826
0.8542	High Similarity	NPC470398
0.854	High Similarity	NPC6888
0.8531	High Similarity	NPC236974
0.8531	High Similarity	NPC144027
0.8523	High Similarity	NPC153758
0.8521	High Similarity	NPC203817
0.8503	High Similarity	NPC229916
0.8503	High Similarity	NPC262094
0.8503	High Similarity	NPC90582
0.85	High Similarity	NPC187907
0.8487	Intermediate Similarity	NPC290671
0.8477	Intermediate Similarity	NPC470461
0.8467	Intermediate Similarity	NPC210320
0.8456	Intermediate Similarity	NPC316535
0.8452	Intermediate Similarity	NPC269495
0.8452	Intermediate Similarity	NPC476930
0.8446	Intermediate Similarity	NPC472344
0.8446	Intermediate Similarity	NPC130206
0.8442	Intermediate Similarity	NPC237560
0.844	Intermediate Similarity	NPC12694
0.8435	Intermediate Similarity	NPC16455
0.8435	Intermediate Similarity	NPC103342
0.8435	Intermediate Similarity	NPC103904
0.8435	Intermediate Similarity	NPC146679
0.8435	Intermediate Similarity	NPC59951
0.8435	Intermediate Similarity	NPC307990
0.8435	Intermediate Similarity	NPC184536
0.8435	Intermediate Similarity	NPC470856
0.8435	Intermediate Similarity	NPC230285
0.8425	Intermediate Similarity	NPC268691
0.8425	Intermediate Similarity	NPC470399
0.8425	Intermediate Similarity	NPC276905
0.8421	Intermediate Similarity	NPC474735
0.8414	Intermediate Similarity	NPC156910
0.8411	Intermediate Similarity	NPC470460
0.8411	Intermediate Similarity	NPC215711
0.8411	Intermediate Similarity	NPC73411
0.84	Intermediate Similarity	NPC470458
0.8392	Intermediate Similarity	NPC128216
0.8389	Intermediate Similarity	NPC96216
0.8389	Intermediate Similarity	NPC470909
0.8389	Intermediate Similarity	NPC474939
0.8387	Intermediate Similarity	NPC154341
0.8387	Intermediate Similarity	NPC313922
0.8378	Intermediate Similarity	NPC310128
0.8378	Intermediate Similarity	NPC136840
0.8378	Intermediate Similarity	NPC150023
0.8378	Intermediate Similarity	NPC474385
0.8367	Intermediate Similarity	NPC477535
0.8367	Intermediate Similarity	NPC37206
0.8367	Intermediate Similarity	NPC152042
0.8367	Intermediate Similarity	NPC143799
0.8367	Intermediate Similarity	NPC241838
0.8367	Intermediate Similarity	NPC477537
0.8367	Intermediate Similarity	NPC139554
0.8367	Intermediate Similarity	NPC137009
0.8366	Intermediate Similarity	NPC200773
0.8366	Intermediate Similarity	NPC240768
0.8365	Intermediate Similarity	NPC72016
0.8357	Intermediate Similarity	NPC264428
0.8356	Intermediate Similarity	NPC188879
0.8356	Intermediate Similarity	NPC254841
0.8355	Intermediate Similarity	NPC317492
0.8354	Intermediate Similarity	NPC27942
0.8345	Intermediate Similarity	NPC223616
0.8344	Intermediate Similarity	NPC211466
0.8344	Intermediate Similarity	NPC61284
0.8344	Intermediate Similarity	NPC176869
0.8344	Intermediate Similarity	NPC40086
0.8344	Intermediate Similarity	NPC3779
0.8344	Intermediate Similarity	NPC113428
0.8344	Intermediate Similarity	NPC472036
0.8344	Intermediate Similarity	NPC122828
0.8344	Intermediate Similarity	NPC44721
0.8344	Intermediate Similarity	NPC476182
0.8333	Intermediate Similarity	NPC87486
0.8333	Intermediate Similarity	NPC223457
0.8333	Intermediate Similarity	NPC288084
0.8333	Intermediate Similarity	NPC288910
0.8333	Intermediate Similarity	NPC133060
0.8333	Intermediate Similarity	NPC118059
0.8333	Intermediate Similarity	NPC470554
0.8333	Intermediate Similarity	NPC124780
0.8333	Intermediate Similarity	NPC311144
0.8323	Intermediate Similarity	NPC99381
0.8322	Intermediate Similarity	NPC51106
0.8322	Intermediate Similarity	NPC294432
0.8322	Intermediate Similarity	NPC471520
0.8322	Intermediate Similarity	NPC472006
0.8322	Intermediate Similarity	NPC470556
0.8312	Intermediate Similarity	NPC216035
0.8312	Intermediate Similarity	NPC217149
0.8311	Intermediate Similarity	NPC129853
0.8311	Intermediate Similarity	NPC188243
0.8311	Intermediate Similarity	NPC244923
0.8311	Intermediate Similarity	NPC474037
0.8311	Intermediate Similarity	NPC284550
0.8311	Intermediate Similarity	NPC269652
0.8311	Intermediate Similarity	NPC6407
0.8311	Intermediate Similarity	NPC76445
0.8311	Intermediate Similarity	NPC90411
0.8311	Intermediate Similarity	NPC110228
0.8311	Intermediate Similarity	NPC281207
0.8302	Intermediate Similarity	NPC91288
0.8302	Intermediate Similarity	NPC109180
0.8301	Intermediate Similarity	NPC470908
0.8301	Intermediate Similarity	NPC116822
0.8301	Intermediate Similarity	NPC61258
0.8299	Intermediate Similarity	NPC124269
0.8291	Intermediate Similarity	NPC159579
0.8291	Intermediate Similarity	NPC85707
0.8291	Intermediate Similarity	NPC259957
0.8291	Intermediate Similarity	NPC282169
0.8291	Intermediate Similarity	NPC48093
0.8291	Intermediate Similarity	NPC216496
0.8291	Intermediate Similarity	NPC224530
0.8291	Intermediate Similarity	NPC129217
0.8289	Intermediate Similarity	NPC471641
0.8289	Intermediate Similarity	NPC191634
0.8289	Intermediate Similarity	NPC240622
0.8289	Intermediate Similarity	NPC240253
0.8289	Intermediate Similarity	NPC471642
0.8289	Intermediate Similarity	NPC168085
0.8288	Intermediate Similarity	NPC61546
0.8288	Intermediate Similarity	NPC72452
0.8288	Intermediate Similarity	NPC240593
0.828	Intermediate Similarity	NPC40583
0.828	Intermediate Similarity	NPC104677
0.8278	Intermediate Similarity	NPC306488
0.8278	Intermediate Similarity	NPC178343
0.8278	Intermediate Similarity	NPC308799
0.8278	Intermediate Similarity	NPC5820
0.8278	Intermediate Similarity	NPC107625
0.8278	Intermediate Similarity	NPC299011
0.8278	Intermediate Similarity	NPC470910
0.8278	Intermediate Similarity	NPC472629
0.8278	Intermediate Similarity	NPC472033
0.8276	Intermediate Similarity	NPC248872
0.8269	Intermediate Similarity	NPC469936
0.8269	Intermediate Similarity	NPC475797
0.8269	Intermediate Similarity	NPC78554
0.8269	Intermediate Similarity	NPC474738
0.8269	Intermediate Similarity	NPC129053
0.8269	Intermediate Similarity	NPC321372
0.8269	Intermediate Similarity	NPC474609
0.8269	Intermediate Similarity	NPC109967
0.8267	Intermediate Similarity	NPC86373
0.8267	Intermediate Similarity	NPC81697
0.8267	Intermediate Similarity	NPC469385
0.8267	Intermediate Similarity	NPC33653
0.8267	Intermediate Similarity	NPC277426
0.8267	Intermediate Similarity	NPC210425
0.8267	Intermediate Similarity	NPC125894
0.8267	Intermediate Similarity	NPC113770
0.8267	Intermediate Similarity	NPC184738
0.8267	Intermediate Similarity	NPC245482
0.8267	Intermediate Similarity	NPC470553
0.8267	Intermediate Similarity	NPC158874
0.8267	Intermediate Similarity	NPC85162
0.8267	Intermediate Similarity	NPC223812
0.8267	Intermediate Similarity	NPC77794
0.8267	Intermediate Similarity	NPC278249
0.8267	Intermediate Similarity	NPC280404
0.8267	Intermediate Similarity	NPC301751
0.8267	Intermediate Similarity	NPC307895
0.8267	Intermediate Similarity	NPC107177
0.8264	Intermediate Similarity	NPC10971
0.8264	Intermediate Similarity	NPC25937
0.8261	Intermediate Similarity	NPC476459
0.8255	Intermediate Similarity	NPC254198
0.8255	Intermediate Similarity	NPC171870
0.8252	Intermediate Similarity	NPC137264
0.8252	Intermediate Similarity	NPC198249
0.8247	Intermediate Similarity	NPC472423
0.8247	Intermediate Similarity	NPC474772
0.8247	Intermediate Similarity	NPC474744
0.8247	Intermediate Similarity	NPC262039
0.8247	Intermediate Similarity	NPC39819
0.8247	Intermediate Similarity	NPC23253
0.8247	Intermediate Similarity	NPC262038

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC105381 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	211
0.1-0.2	766
0.2-0.3	1633
0.3-0.4	2416
0.4-0.5	2230
0.5-0.6	1264
0.6-0.7	472
0.7-0.8	151
0.8-0.85	16
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8591	High Similarity	NPD5403	Approved
0.8514	High Similarity	NPD6799	Approved
0.8456	Intermediate Similarity	NPD5401	Approved
0.8442	Intermediate Similarity	NPD5402	Approved
0.8312	Intermediate Similarity	NPD6801	Discontinued
0.8311	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8217	Intermediate Similarity	NPD7075	Discontinued
0.8212	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8182	Intermediate Similarity	NPD6599	Discontinued
0.8163	Intermediate Similarity	NPD1551	Phase 2
0.8153	Intermediate Similarity	NPD3882	Suspended
0.8129	Intermediate Similarity	NPD9717	Approved
0.8108	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8108	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8089	Intermediate Similarity	NPD3817	Phase 2
0.8054	Intermediate Similarity	NPD1549	Phase 2
0.8013	Intermediate Similarity	NPD7411	Suspended
0.7974	Intermediate Similarity	NPD2532	Approved
0.7974	Intermediate Similarity	NPD2534	Approved
0.7974	Intermediate Similarity	NPD2533	Approved
0.7933	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD2796	Approved
0.7917	Intermediate Similarity	NPD6832	Phase 2
0.7871	Intermediate Similarity	NPD920	Approved
0.7867	Intermediate Similarity	NPD6002	Phase 3
0.7867	Intermediate Similarity	NPD6004	Phase 3
0.7867	Intermediate Similarity	NPD6005	Phase 3
0.7867	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7832	Intermediate Similarity	NPD1203	Approved
0.7823	Intermediate Similarity	NPD1240	Approved
0.7799	Intermediate Similarity	NPD7819	Suspended
0.7799	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7798	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD1019	Discontinued
0.7771	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.777	Intermediate Similarity	NPD447	Suspended
0.7764	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD2800	Approved
0.775	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD1934	Approved
0.7733	Intermediate Similarity	NPD1510	Phase 2
0.7733	Intermediate Similarity	NPD2799	Discontinued
0.7733	Intermediate Similarity	NPD7033	Discontinued
0.7722	Intermediate Similarity	NPD4380	Phase 2
0.7718	Intermediate Similarity	NPD1607	Approved
0.7712	Intermediate Similarity	NPD3750	Approved
0.7711	Intermediate Similarity	NPD3818	Discontinued
0.7702	Intermediate Similarity	NPD7768	Phase 2
0.7697	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6166	Phase 2
0.7697	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD1512	Approved
0.7688	Intermediate Similarity	NPD2801	Approved
0.7687	Intermediate Similarity	NPD2313	Discontinued
0.7679	Intermediate Similarity	NPD6797	Phase 2
0.7655	Intermediate Similarity	NPD5647	Approved
0.7654	Intermediate Similarity	NPD3749	Approved
0.7647	Intermediate Similarity	NPD1243	Approved
0.7647	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD6559	Discontinued
0.7633	Intermediate Similarity	NPD7251	Discontinued
0.7628	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7626	Intermediate Similarity	NPD9493	Approved
0.7613	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD919	Approved
0.7588	Intermediate Similarity	NPD7808	Phase 3
0.7586	Intermediate Similarity	NPD2797	Approved
0.7568	Intermediate Similarity	NPD3268	Approved
0.7568	Intermediate Similarity	NPD411	Approved
0.7566	Intermediate Similarity	NPD2935	Discontinued
0.7564	Intermediate Similarity	NPD1511	Approved
0.7561	Intermediate Similarity	NPD5494	Approved
0.7552	Intermediate Similarity	NPD422	Phase 1
0.7533	Intermediate Similarity	NPD5124	Phase 1
0.7533	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD6355	Discontinued
0.7516	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3748	Approved
0.7485	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD4628	Phase 3
0.7456	Intermediate Similarity	NPD7054	Approved
0.7456	Intermediate Similarity	NPD7286	Phase 2
0.7453	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD6798	Discontinued
0.7438	Intermediate Similarity	NPD3226	Approved
0.7431	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD2654	Approved
0.7412	Intermediate Similarity	NPD7074	Phase 3
0.7412	Intermediate Similarity	NPD7472	Approved
0.741	Intermediate Similarity	NPD1247	Approved
0.7405	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD2346	Discontinued
0.74	Intermediate Similarity	NPD6233	Phase 2
0.7378	Intermediate Similarity	NPD4967	Phase 2
0.7378	Intermediate Similarity	NPD4965	Approved
0.7378	Intermediate Similarity	NPD4966	Approved
0.7368	Intermediate Similarity	NPD6651	Approved
0.7368	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD5953	Discontinued
0.7337	Intermediate Similarity	NPD7473	Discontinued
0.7314	Intermediate Similarity	NPD8434	Phase 2
0.7308	Intermediate Similarity	NPD1652	Phase 2
0.7305	Intermediate Similarity	NPD6959	Discontinued
0.7303	Intermediate Similarity	NPD230	Phase 1
0.7303	Intermediate Similarity	NPD1933	Approved
0.7297	Intermediate Similarity	NPD2798	Approved
0.729	Intermediate Similarity	NPD2344	Approved
0.7283	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD3225	Approved
0.7278	Intermediate Similarity	NPD2403	Approved
0.7273	Intermediate Similarity	NPD4308	Phase 3
0.7273	Intermediate Similarity	NPD9545	Approved
0.7262	Intermediate Similarity	NPD5711	Approved
0.7262	Intermediate Similarity	NPD5710	Approved
0.7262	Intermediate Similarity	NPD6232	Discontinued
0.7251	Intermediate Similarity	NPD5844	Phase 1
0.7241	Intermediate Similarity	NPD3496	Discontinued
0.723	Intermediate Similarity	NPD6362	Approved
0.723	Intermediate Similarity	NPD3266	Approved
0.723	Intermediate Similarity	NPD3267	Approved
0.7222	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1296	Phase 2
0.7219	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD3926	Phase 2
0.7195	Intermediate Similarity	NPD37	Approved
0.7193	Intermediate Similarity	NPD3751	Discontinued
0.7186	Intermediate Similarity	NPD6234	Discontinued
0.7182	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD1778	Approved
0.7171	Intermediate Similarity	NPD4062	Phase 3
0.716	Intermediate Similarity	NPD3787	Discontinued
0.7151	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD6653	Approved
0.7143	Intermediate Similarity	NPD8313	Approved
0.7143	Intermediate Similarity	NPD8312	Approved
0.7115	Intermediate Similarity	NPD6100	Approved
0.7115	Intermediate Similarity	NPD6099	Approved
0.7107	Intermediate Similarity	NPD2309	Approved
0.7101	Intermediate Similarity	NPD9264	Approved
0.7101	Intermediate Similarity	NPD9263	Approved
0.7101	Intermediate Similarity	NPD9267	Approved
0.7101	Intermediate Similarity	NPD7199	Phase 2
0.7091	Intermediate Similarity	NPD6844	Discontinued
0.7086	Intermediate Similarity	NPD4908	Phase 1
0.7083	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD1091	Approved
0.707	Intermediate Similarity	NPD5762	Approved
0.707	Intermediate Similarity	NPD5763	Approved
0.7059	Intermediate Similarity	NPD7229	Phase 3
0.705	Intermediate Similarity	NPD9266	Approved
0.705	Intermediate Similarity	NPD74	Approved
0.7048	Intermediate Similarity	NPD5761	Phase 2
0.7048	Intermediate Similarity	NPD5760	Phase 2
0.7042	Intermediate Similarity	NPD1241	Discontinued
0.7034	Intermediate Similarity	NPD1548	Phase 1
0.7025	Intermediate Similarity	NPD2424	Discontinued
0.7013	Intermediate Similarity	NPD4307	Phase 2
0.7	Intermediate Similarity	NPD3887	Approved
0.6994	Remote Similarity	NPD7228	Approved
0.6994	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD3764	Approved
0.6993	Remote Similarity	NPD1048	Approved
0.6975	Remote Similarity	NPD4662	Approved
0.6975	Remote Similarity	NPD4661	Approved
0.6974	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD1471	Phase 3
0.6959	Remote Similarity	NPD1610	Phase 2
0.6943	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD17	Approved
0.6933	Remote Similarity	NPD5049	Phase 3
0.6933	Remote Similarity	NPD6273	Approved
0.6918	Remote Similarity	NPD1894	Discontinued
0.6914	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1729	Discontinued
0.6913	Remote Similarity	NPD1481	Phase 2
0.6905	Remote Similarity	NPD4288	Approved
0.6903	Remote Similarity	NPD4060	Phase 1
0.6897	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD2354	Approved
0.6894	Remote Similarity	NPD6190	Approved
0.6885	Remote Similarity	NPD4360	Phase 2
0.6885	Remote Similarity	NPD4363	Phase 3
0.6883	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD2067	Discontinued
0.6875	Remote Similarity	NPD9281	Approved
0.6872	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD4749	Approved
0.686	Remote Similarity	NPD6808	Phase 2

Structure

NPC105381 OpenBabel07101719512D 22 24 0 0 1 0 0 0 0 0999 V2000 -0.7029 1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 0.9706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 0.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 1.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -2.8090 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 -3.0823 0.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 1 1 1 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 18 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 9 1 6 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44140404
ChEMBL	CHEMBL556677
ZINC

Physicochemical Properties

Molecular Weight:	304.09
ALogP:	-1.0663
MLogP:	2.56
XLogP:	1.127
# Rotatable Bonds:	6
Polar Surface Area:	82.06
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	22

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