NPASS Natural Product

Natural Product: NPC175804

Natural Product ID:	NPC175804
Common Name:	Diploicin Methyl Ether
IUPAC Name:	2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Synonyms:
Molecular Formula:	C17H12Cl4O5
Standard InCHIKey:	PPFWMXVOIABRTP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H12Cl4O5/c1-5-7-13(10(20)14(23-3)8(5)18)25-12-6(2)9(19)15(24-4)11(21)16(12)26-17(7)22/h1-4H3
Canonical SMILES:	COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(O2)c(Cl)c(c(c1C)Cl)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO6208	Trichogoniopsis morii	Species	Asteraceae	Eukaryota	UNPD*
NPO8523	Haematoxylon campechianum	NA	NA	NA	UNPD*
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	UNPD*
NPO5477	Mycosphaerella laricina	Species	Mycosphaerellaceae	Eukaryota	UNPD*

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
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	97.17	%	23571415
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	103.55	%	23571415

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 NPC175804 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	452
0.1-0.2	2146
0.2-0.3	5746
0.3-0.4	8740
0.4-0.5	3495
0.5-0.6	5479
0.6-0.7	4569
0.7-0.8	238
0.8-0.85	6
0.85-0.9	2
0.9-0.95	11
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9702	High Similarity	NPC195675
0.9645	High Similarity	NPC471811
0.9645	High Similarity	NPC471809
0.9586	High Similarity	NPC471814
0.9586	High Similarity	NPC471808
0.9405	High Similarity	NPC108278
0.9364	High Similarity	NPC121100
0.931	High Similarity	NPC471810
0.931	High Similarity	NPC471806
0.9253	High Similarity	NPC471813
0.9253	High Similarity	NPC471805
0.92	High Similarity	NPC471807
0.9086	High Similarity	NPC471812
0.9086	High Similarity	NPC471804
0.9086	High Similarity	NPC471803
0.9034	High Similarity	NPC39409
0.8743	High Similarity	NPC471801
0.8686	High Similarity	NPC471802
0.8415	Intermediate Similarity	NPC220369
0.837	Intermediate Similarity	NPC214901
0.828	Intermediate Similarity	NPC193676
0.828	Intermediate Similarity	NPC198163
0.8191	Intermediate Similarity	NPC154720
0.8167	Intermediate Similarity	NPC28160
0.7944	Intermediate Similarity	NPC188618
0.7901	Intermediate Similarity	NPC470422
0.7814	Intermediate Similarity	NPC45072
0.7714	Intermediate Similarity	NPC471800
0.7684	Intermediate Similarity	NPC238381
0.7568	Intermediate Similarity	NPC477568
0.7541	Intermediate Similarity	NPC148480
0.7526	Intermediate Similarity	NPC474499
0.7514	Intermediate Similarity	NPC300984
0.7514	Intermediate Similarity	NPC156082
0.75	Intermediate Similarity	NPC303565
0.7486	Intermediate Similarity	NPC472032
0.7485	Intermediate Similarity	NPC200207
0.7473	Intermediate Similarity	NPC234053
0.7473	Intermediate Similarity	NPC267153
0.7473	Intermediate Similarity	NPC112981
0.7459	Intermediate Similarity	NPC93739
0.7448	Intermediate Similarity	NPC470099
0.7444	Intermediate Similarity	NPC200594
0.7432	Intermediate Similarity	NPC20216
0.7418	Intermediate Similarity	NPC284007
0.7396	Intermediate Similarity	NPC136411
0.7394	Intermediate Similarity	NPC472606
0.7391	Intermediate Similarity	NPC272485
0.7391	Intermediate Similarity	NPC292788
0.7389	Intermediate Similarity	NPC83763
0.7389	Intermediate Similarity	NPC168616
0.7386	Intermediate Similarity	NPC29056
0.7377	Intermediate Similarity	NPC8070
0.7374	Intermediate Similarity	NPC54928
0.7366	Intermediate Similarity	NPC474857
0.7363	Intermediate Similarity	NPC474096
0.7363	Intermediate Similarity	NPC108767
0.736	Intermediate Similarity	NPC186507
0.7358	Intermediate Similarity	NPC470100
0.7351	Intermediate Similarity	NPC26568
0.7345	Intermediate Similarity	NPC474663
0.7345	Intermediate Similarity	NPC198615
0.7345	Intermediate Similarity	NPC473732
0.7322	Intermediate Similarity	NPC474350
0.7318	Intermediate Similarity	NPC34725
0.7318	Intermediate Similarity	NPC122623
0.7318	Intermediate Similarity	NPC241774
0.7318	Intermediate Similarity	NPC276059
0.7312	Intermediate Similarity	NPC239440
0.7312	Intermediate Similarity	NPC17219
0.7312	Intermediate Similarity	NPC20543
0.7312	Intermediate Similarity	NPC1827
0.7312	Intermediate Similarity	NPC107283
0.7312	Intermediate Similarity	NPC246716
0.7312	Intermediate Similarity	NPC277865
0.7312	Intermediate Similarity	NPC10576
0.7308	Intermediate Similarity	NPC298401
0.7303	Intermediate Similarity	NPC475116
0.7303	Intermediate Similarity	NPC289968
0.7299	Intermediate Similarity	NPC165512
0.7287	Intermediate Similarity	NPC264922
0.7283	Intermediate Similarity	NPC173352
0.7283	Intermediate Similarity	NPC58653
0.7282	Intermediate Similarity	NPC221185
0.7278	Intermediate Similarity	NPC257277
0.7278	Intermediate Similarity	NPC474983
0.7268	Intermediate Similarity	NPC473696
0.7257	Intermediate Similarity	NPC302408
0.7257	Intermediate Similarity	NPC283002
0.7257	Intermediate Similarity	NPC215932
0.7257	Intermediate Similarity	NPC110639
0.7257	Intermediate Similarity	NPC106461
0.7257	Intermediate Similarity	NPC40818
0.7257	Intermediate Similarity	NPC14958
0.7247	Intermediate Similarity	NPC474170
0.7247	Intermediate Similarity	NPC474388
0.7247	Intermediate Similarity	NPC472535
0.7245	Intermediate Similarity	NPC247104
0.7243	Intermediate Similarity	NPC28669
0.7243	Intermediate Similarity	NPC474061
0.7243	Intermediate Similarity	NPC29160
0.724	Intermediate Similarity	NPC99937
0.7235	Intermediate Similarity	NPC475423
0.7234	Intermediate Similarity	NPC181523
0.7228	Intermediate Similarity	NPC234004
0.7228	Intermediate Similarity	NPC470081
0.7225	Intermediate Similarity	NPC29536
0.7222	Intermediate Similarity	NPC20541
0.7219	Intermediate Similarity	NPC470562
0.7219	Intermediate Similarity	NPC470565
0.7216	Intermediate Similarity	NPC205522
0.7216	Intermediate Similarity	NPC85233
0.7213	Intermediate Similarity	NPC472405
0.7209	Intermediate Similarity	NPC207418
0.7208	Intermediate Similarity	NPC48822
0.7204	Intermediate Similarity	NPC234331
0.7196	Intermediate Similarity	NPC289147
0.7196	Intermediate Similarity	NPC139350
0.7191	Intermediate Similarity	NPC177839
0.7184	Intermediate Similarity	NPC70853
0.7184	Intermediate Similarity	NPC9966
0.7182	Intermediate Similarity	NPC472456
0.7181	Intermediate Similarity	NPC470560
0.7175	Intermediate Similarity	NPC63256
0.7175	Intermediate Similarity	NPC183236
0.7175	Intermediate Similarity	NPC10304
0.7175	Intermediate Similarity	NPC476058
0.7174	Intermediate Similarity	NPC8300
0.7168	Intermediate Similarity	NPC58229
0.7166	Intermediate Similarity	NPC49487
0.7166	Intermediate Similarity	NPC165979
0.7166	Intermediate Similarity	NPC163130
0.7166	Intermediate Similarity	NPC99613
0.7159	Intermediate Similarity	NPC231013
0.7151	Intermediate Similarity	NPC204350
0.7151	Intermediate Similarity	NPC472452
0.7143	Intermediate Similarity	NPC95123
0.7143	Intermediate Similarity	NPC27106
0.7143	Intermediate Similarity	NPC113089
0.7143	Intermediate Similarity	NPC217677
0.7143	Intermediate Similarity	NPC472404
0.7143	Intermediate Similarity	NPC241904
0.7143	Intermediate Similarity	NPC23955
0.7143	Intermediate Similarity	NPC300727
0.7143	Intermediate Similarity	NPC165977
0.7143	Intermediate Similarity	NPC66404
0.7135	Intermediate Similarity	NPC238366
0.7135	Intermediate Similarity	NPC29055
0.7135	Intermediate Similarity	NPC181250
0.7135	Intermediate Similarity	NPC151292
0.7135	Intermediate Similarity	NPC474648
0.7135	Intermediate Similarity	NPC69752
0.7135	Intermediate Similarity	NPC328119
0.7128	Intermediate Similarity	NPC124470
0.7128	Intermediate Similarity	NPC109827
0.7128	Intermediate Similarity	NPC316091
0.7128	Intermediate Similarity	NPC313386
0.7127	Intermediate Similarity	NPC471746
0.7126	Intermediate Similarity	NPC105648
0.7119	Intermediate Similarity	NPC477569
0.7113	Intermediate Similarity	NPC191606
0.7111	Intermediate Similarity	NPC292460
0.7104	Intermediate Similarity	NPC476242
0.7102	Intermediate Similarity	NPC136278
0.7102	Intermediate Similarity	NPC134621
0.7097	Intermediate Similarity	NPC68850
0.7097	Intermediate Similarity	NPC130920
0.7097	Intermediate Similarity	NPC85057
0.7095	Intermediate Similarity	NPC306821
0.7095	Intermediate Similarity	NPC201547
0.7095	Intermediate Similarity	NPC259058
0.709	Intermediate Similarity	NPC158226
0.7088	Intermediate Similarity	NPC301897
0.7088	Intermediate Similarity	NPC274730
0.7088	Intermediate Similarity	NPC227062
0.7085	Intermediate Similarity	NPC313541
0.7083	Intermediate Similarity	NPC306240
0.7083	Intermediate Similarity	NPC240887
0.7083	Intermediate Similarity	NPC470091
0.7083	Intermediate Similarity	NPC113446
0.7083	Intermediate Similarity	NPC329161
0.7072	Intermediate Similarity	NPC473664
0.7069	Intermediate Similarity	NPC220106
0.7065	Intermediate Similarity	NPC475886
0.7065	Intermediate Similarity	NPC474287
0.7065	Intermediate Similarity	NPC108744
0.7065	Intermediate Similarity	NPC228785
0.7065	Intermediate Similarity	NPC14353
0.7065	Intermediate Similarity	NPC56085
0.7062	Intermediate Similarity	NPC237208
0.7062	Intermediate Similarity	NPC310259
0.7062	Intermediate Similarity	NPC473927
0.7056	Intermediate Similarity	NPC308451
0.7056	Intermediate Similarity	NPC208043
0.7056	Intermediate Similarity	NPC117579
0.7056	Intermediate Similarity	NPC226973
0.7049	Intermediate Similarity	NPC108456
0.7045	Intermediate Similarity	NPC182842
0.7045	Intermediate Similarity	NPC293201
0.7039	Intermediate Similarity	NPC477567

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC175804 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	456
0.1-0.2	1329
0.2-0.3	2712
0.3-0.4	2648
0.4-0.5	1388
0.5-0.6	512
0.6-0.7	113
0.7-0.8	3
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7661	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7473	Intermediate Similarity	NPD2403	Approved
0.7033	Intermediate Similarity	NPD3817	Phase 2
0.6983	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD2801	Approved
0.6895	Remote Similarity	NPD5844	Phase 1
0.6882	Remote Similarity	NPD5494	Approved
0.6831	Remote Similarity	NPD1934	Approved
0.6809	Remote Similarity	NPD6232	Discontinued
0.6796	Remote Similarity	NPD957	Approved
0.6793	Remote Similarity	NPD1465	Phase 2
0.6761	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD919	Approved
0.6703	Remote Similarity	NPD7819	Suspended
0.6702	Remote Similarity	NPD7473	Discontinued
0.6685	Remote Similarity	NPD958	Approved
0.6667	Remote Similarity	NPD6799	Approved
0.6667	Remote Similarity	NPD1511	Approved
0.6631	Remote Similarity	NPD3882	Suspended
0.663	Remote Similarity	NPD2534	Approved
0.663	Remote Similarity	NPD2532	Approved
0.663	Remote Similarity	NPD2533	Approved
0.6613	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD1512	Approved
0.6582	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD1247	Approved
0.6543	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD6599	Discontinued
0.6517	Remote Similarity	NPD2353	Approved
0.6517	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD1184	Approved
0.651	Remote Similarity	NPD3926	Phase 2
0.6497	Remote Similarity	NPD3748	Approved
0.6477	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD6166	Phase 2
0.6467	Remote Similarity	NPD920	Approved
0.6467	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD3887	Approved
0.6462	Remote Similarity	NPD7054	Approved
0.6461	Remote Similarity	NPD2796	Approved
0.6444	Remote Similarity	NPD1243	Approved
0.6436	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD7074	Phase 3
0.6429	Remote Similarity	NPD7472	Approved
0.642	Remote Similarity	NPD447	Suspended
0.642	Remote Similarity	NPD1933	Approved
0.641	Remote Similarity	NPD3818	Discontinued
0.6402	Remote Similarity	NPD5402	Approved
0.6383	Remote Similarity	NPD6801	Discontinued
0.6374	Remote Similarity	NPD2354	Approved
0.6364	Remote Similarity	NPD4972	Discontinued
0.6359	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD2800	Approved
0.6335	Remote Similarity	NPD3749	Approved
0.6335	Remote Similarity	NPD7075	Discontinued
0.6332	Remote Similarity	NPD7808	Phase 3
0.6328	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD7199	Phase 2
0.6321	Remote Similarity	NPD6959	Discontinued
0.6319	Remote Similarity	NPD3750	Approved
0.6313	Remote Similarity	NPD6797	Phase 2
0.6281	Remote Similarity	NPD7251	Discontinued
0.6278	Remote Similarity	NPD2935	Discontinued
0.627	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD5242	Approved
0.625	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.625	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.625	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD7411	Suspended
0.6243	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6231	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6229	Remote Similarity	NPD6832	Phase 2
0.6223	Remote Similarity	NPD3226	Approved
0.6209	Remote Similarity	NPD1549	Phase 2
0.6205	Remote Similarity	NPD5710	Approved
0.6205	Remote Similarity	NPD5711	Approved
0.6188	Remote Similarity	NPD1551	Phase 2
0.6184	Remote Similarity	NPD4363	Phase 3
0.6184	Remote Similarity	NPD4360	Phase 2
0.6184	Remote Similarity	NPD6312	Discontinued
0.6183	Remote Similarity	NPD5401	Approved
0.618	Remote Similarity	NPD1240	Approved
0.6171	Remote Similarity	NPD454	Approved
0.6166	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD2346	Discontinued
0.6146	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6146	Remote Similarity	NPD5353	Approved
0.6145	Remote Similarity	NPD230	Phase 1
0.6133	Remote Similarity	NPD1510	Phase 2
0.6133	Remote Similarity	NPD2799	Discontinued
0.6126	Remote Similarity	NPD37	Approved
0.6117	Remote Similarity	NPD5403	Approved
0.6114	Remote Similarity	NPD4965	Approved
0.6114	Remote Similarity	NPD4967	Phase 2
0.6114	Remote Similarity	NPD4966	Approved
0.6114	Remote Similarity	NPD7768	Phase 2
0.6111	Remote Similarity	NPD6651	Approved
0.6111	Remote Similarity	NPD1607	Approved
0.6105	Remote Similarity	NPD4380	Phase 2
0.6096	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6096	Remote Similarity	NPD1578	Phase 2
0.6077	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6077	Remote Similarity	NPD4361	Phase 2
0.6073	Remote Similarity	NPD6385	Approved
0.6073	Remote Similarity	NPD6386	Approved
0.6062	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6061	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6054	Remote Similarity	NPD4628	Phase 3
0.6051	Remote Similarity	NPD6234	Discontinued
0.6043	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6033	Remote Similarity	NPD4534	Discontinued
0.6	Remote Similarity	NPD1163	Approved
0.6	Remote Similarity	NPD3751	Discontinued
0.5988	Remote Similarity	NPD17	Approved
0.5978	Remote Similarity	NPD1296	Phase 2
0.597	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.5968	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.5966	Remote Similarity	NPD1203	Approved
0.5961	Remote Similarity	NPD6559	Discontinued
0.596	Remote Similarity	NPD3787	Discontinued
0.5956	Remote Similarity	NPD651	Clinical (unspecified phase)
0.5946	Remote Similarity	NPD5958	Discontinued
0.5933	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.5932	Remote Similarity	NPD1019	Discontinued
0.5924	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.5916	Remote Similarity	NPD1653	Approved
0.5914	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.5912	Remote Similarity	NPD943	Approved
0.5907	Remote Similarity	NPD5006	Approved
0.5907	Remote Similarity	NPD5005	Approved
0.5897	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.5897	Remote Similarity	NPD2379	Clinical (unspecified phase)
0.5897	Remote Similarity	NPD4288	Approved
0.5891	Remote Similarity	NPD7286	Phase 2
0.5889	Remote Similarity	NPD2313	Discontinued
0.5888	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.5886	Remote Similarity	NPD9717	Approved
0.5886	Remote Similarity	NPD1608	Approved
0.5882	Remote Similarity	NPD3303	Discontinued
0.5879	Remote Similarity	NPD7229	Phase 3
0.5876	Remote Similarity	NPD3267	Approved
0.5876	Remote Similarity	NPD3266	Approved
0.5845	Remote Similarity	NPD6785	Approved
0.5845	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.5845	Remote Similarity	NPD6784	Approved
0.5842	Remote Similarity	NPD7228	Approved
0.5833	Remote Similarity	NPD5953	Discontinued
0.5833	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.5829	Remote Similarity	NPD2654	Approved
0.5824	Remote Similarity	NPD4307	Phase 2
0.5823	Remote Similarity	NPD1852	Discontinued
0.5821	Remote Similarity	NPD5822	Clinical (unspecified phase)
0.5815	Remote Similarity	NPD4538	Approved
0.5815	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.5815	Remote Similarity	NPD4536	Approved
0.581	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.5808	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.5801	Remote Similarity	NPD411	Approved
0.5801	Remote Similarity	NPD7985	Registered
0.5798	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.5794	Remote Similarity	NPD4420	Approved
0.5784	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.5778	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.5777	Remote Similarity	NPD7549	Discontinued
0.5766	Remote Similarity	NPD7783	Phase 2
0.5766	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.5764	Remote Similarity	NPD6258	Discontinued
0.5762	Remote Similarity	NPD4287	Approved
0.5759	Remote Similarity	NPD3146	Approved
0.5759	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.5753	Remote Similarity	NPD6099	Approved
0.5753	Remote Similarity	NPD6100	Approved
0.575	Remote Similarity	NPD8127	Discontinued
0.5744	Remote Similarity	NPD3274	Phase 2
0.5743	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.5742	Remote Similarity	NPD8434	Phase 2
0.5739	Remote Similarity	NPD422	Phase 1
0.5739	Remote Similarity	NPD1611	Approved
0.5738	Remote Similarity	NPD1613	Approved
0.5738	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.5737	Remote Similarity	NPD5058	Phase 3
0.5728	Remote Similarity	NPD7240	Approved
0.5723	Remote Similarity	NPD7644	Approved
0.5722	Remote Similarity	NPD3018	Phase 2
0.5722	Remote Similarity	NPD1471	Phase 3
0.5722	Remote Similarity	NPD2344	Approved
0.5714	Remote Similarity	NPD3268	Approved
0.5707	Remote Similarity	NPD7390	Discontinued
0.5699	Remote Similarity	NPD4308	Phase 3
0.5699	Remote Similarity	NPD5588	Approved
0.5699	Remote Similarity	NPD5960	Phase 3
0.5698	Remote Similarity	NPD2797	Approved
0.5694	Remote Similarity	NPD8285	Discontinued
0.5691	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.5691	Remote Similarity	NPD2808	Discontinued
0.5684	Remote Similarity	NPD6190	Approved
0.5683	Remote Similarity	NPD6233	Phase 2

Structure

CID175804 OpenBabel06191715552D 26 28 0 0 0 0 0 0 0 0999 V2000 2.6228 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 2.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 2.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 0.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9944 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 -0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -0.0990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 3.3797 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 2.9010 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -0.0747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 -1.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 1.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 1.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 2.0245 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 5 1 0 0 0 0 2 6 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 25 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 26 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	634078
ChEMBL	CHEMBL3039100
ZINC

Physicochemical Properties

Molecular Weight:	435.94
ALogP:	3.9124
MLogP:	2.34
XLogP:	4.052
# Rotatable Bonds:	10
Polar Surface Area:	53.99
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	26

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