NPASS Natural Product

Natural Product: NPC165386

Natural Product ID:	NPC165386
Common Name:	1,2,3-Trimethoxy-5-Methylbenzene
IUPAC Name:	1,2,3-trimethoxy-5-methylbenzene
Synonyms:
Molecular Formula:	C10H14O3
Standard InCHIKey:	KCIZTNZGSBSSRM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
Canonical SMILES:	COc1c(OC)cc(cc1OC)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO5949	Pericarpium arecae	NA	NA	NA	TCMID*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	TCM_Taiwan*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	HerDing*
NPO9499	Epimrdii herba	NA	NA	NA	TCMSP*
NPO29560	Carthami flos	NA	NA	NA	TCMSP*
NPO8381	Curculiginis rhizome	NA	NA	NA	TCMSP*
NPO20120	Asari radix et rhizoma	NA	NA	NA	TCMSP*
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO4659	Asiasarum heterotropoides	NA	NA	NA	TM-MC*
NPO29078	Asiasarum sieboldii	NA	NA	NA	TM-MC*
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	TM-MC*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	4900	nM	1738151
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	4897.79	nM	1738151

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 NPC165386 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	276
0.1-0.2	1538
0.2-0.3	4947
0.3-0.4	9362
0.4-0.5	2125
0.5-0.6	4402
0.6-0.7	5879
0.7-0.8	1985
0.8-0.85	276
0.85-0.9	80
0.9-0.95	17
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9806	High Similarity	NPC203924
0.9619	High Similarity	NPC204120
0.9352	High Similarity	NPC123948
0.9352	High Similarity	NPC193067
0.9266	High Similarity	NPC52464
0.9266	High Similarity	NPC304208
0.9266	High Similarity	NPC33271
0.9266	High Similarity	NPC259638
0.9182	High Similarity	NPC63083
0.9118	High Similarity	NPC12714
0.9118	High Similarity	NPC310905
0.9099	High Similarity	NPC119949
0.9099	High Similarity	NPC15805
0.9099	High Similarity	NPC254625
0.9099	High Similarity	NPC308217
0.9099	High Similarity	NPC475961
0.9099	High Similarity	NPC20674
0.9018	High Similarity	NPC222175
0.9018	High Similarity	NPC229401
0.8942	High Similarity	NPC292792
0.8938	High Similarity	NPC472596
0.8938	High Similarity	NPC166759
0.8938	High Similarity	NPC199023
0.8879	High Similarity	NPC82016
0.886	High Similarity	NPC49341
0.886	High Similarity	NPC310373
0.886	High Similarity	NPC477886
0.886	High Similarity	NPC285289
0.885	High Similarity	NPC232084
0.885	High Similarity	NPC474565
0.885	High Similarity	NPC10932
0.885	High Similarity	NPC247364
0.885	High Similarity	NPC61516
0.8839	High Similarity	NPC474612
0.8783	High Similarity	NPC288238
0.8783	High Similarity	NPC194626
0.8783	High Similarity	NPC270326
0.8783	High Similarity	NPC262253
0.8783	High Similarity	NPC473411
0.8783	High Similarity	NPC71579
0.8783	High Similarity	NPC261661
0.8783	High Similarity	NPC211231
0.8783	High Similarity	NPC264885
0.8774	High Similarity	NPC164576
0.8761	High Similarity	NPC226629
0.8707	High Similarity	NPC108545
0.8707	High Similarity	NPC165375
0.8707	High Similarity	NPC282496
0.8707	High Similarity	NPC233526
0.8707	High Similarity	NPC220598
0.8707	High Similarity	NPC238810
0.8696	High Similarity	NPC145780
0.8692	High Similarity	NPC258171
0.8692	High Similarity	NPC227894
0.8692	High Similarity	NPC35543
0.8636	High Similarity	NPC280606
0.8632	High Similarity	NPC105513
0.8632	High Similarity	NPC5796
0.8632	High Similarity	NPC283170
0.8632	High Similarity	NPC191768
0.8632	High Similarity	NPC92869
0.8632	High Similarity	NPC183446
0.8632	High Similarity	NPC206487
0.8621	High Similarity	NPC41562
0.8611	High Similarity	NPC245115
0.8559	High Similarity	NPC60885
0.8559	High Similarity	NPC82483
0.8559	High Similarity	NPC233410
0.8559	High Similarity	NPC271985
0.8559	High Similarity	NPC173608
0.8559	High Similarity	NPC300326
0.8559	High Similarity	NPC203133
0.8559	High Similarity	NPC472093
0.8559	High Similarity	NPC116907
0.8559	High Similarity	NPC298757
0.8559	High Similarity	NPC117214
0.8559	High Similarity	NPC265483
0.8559	High Similarity	NPC475169
0.8559	High Similarity	NPC299584
0.8559	High Similarity	NPC193544
0.8559	High Similarity	NPC208950
0.8559	High Similarity	NPC27352
0.8559	High Similarity	NPC105925
0.8559	High Similarity	NPC221077
0.8559	High Similarity	NPC57490
0.8559	High Similarity	NPC58279
0.8559	High Similarity	NPC234400
0.8559	High Similarity	NPC17943
0.8559	High Similarity	NPC251855
0.8547	High Similarity	NPC228922
0.8547	High Similarity	NPC197757
0.8545	High Similarity	NPC90520
0.8545	High Similarity	NPC296920
0.8534	High Similarity	NPC75713
0.8532	High Similarity	NPC246358
0.8532	High Similarity	NPC36108
0.8532	High Similarity	NPC7097
0.8532	High Similarity	NPC127326
0.8532	High Similarity	NPC233731
0.8496	Intermediate Similarity	NPC221049
0.8487	Intermediate Similarity	NPC18924
0.8487	Intermediate Similarity	NPC223953
0.8487	Intermediate Similarity	NPC88297
0.8487	Intermediate Similarity	NPC9891
0.8487	Intermediate Similarity	NPC127604
0.8487	Intermediate Similarity	NPC78974
0.8487	Intermediate Similarity	NPC112571
0.8487	Intermediate Similarity	NPC223136
0.8487	Intermediate Similarity	NPC244364
0.8487	Intermediate Similarity	NPC103823
0.8487	Intermediate Similarity	NPC214406
0.8487	Intermediate Similarity	NPC76451
0.8487	Intermediate Similarity	NPC28730
0.8487	Intermediate Similarity	NPC50683
0.8487	Intermediate Similarity	NPC285725
0.8487	Intermediate Similarity	NPC186845
0.8487	Intermediate Similarity	NPC44748
0.8487	Intermediate Similarity	NPC473960
0.8482	Intermediate Similarity	NPC228287
0.8482	Intermediate Similarity	NPC180508
0.8455	Intermediate Similarity	NPC94045
0.8455	Intermediate Similarity	NPC2682
0.8455	Intermediate Similarity	NPC137685
0.8455	Intermediate Similarity	NPC179309
0.8455	Intermediate Similarity	NPC303521
0.8455	Intermediate Similarity	NPC168657
0.8435	Intermediate Similarity	NPC135961
0.8417	Intermediate Similarity	NPC324112
0.8417	Intermediate Similarity	NPC473092
0.8417	Intermediate Similarity	NPC194841
0.8417	Intermediate Similarity	NPC202904
0.8417	Intermediate Similarity	NPC266555
0.8417	Intermediate Similarity	NPC159968
0.8417	Intermediate Similarity	NPC8050
0.8417	Intermediate Similarity	NPC293054
0.8417	Intermediate Similarity	NPC124452
0.8417	Intermediate Similarity	NPC246620
0.8417	Intermediate Similarity	NPC473093
0.8417	Intermediate Similarity	NPC282000
0.8417	Intermediate Similarity	NPC169474
0.8417	Intermediate Similarity	NPC82679
0.8417	Intermediate Similarity	NPC471986
0.8417	Intermediate Similarity	NPC236791
0.8417	Intermediate Similarity	NPC242032
0.8417	Intermediate Similarity	NPC291847
0.8417	Intermediate Similarity	NPC474119
0.8417	Intermediate Similarity	NPC127587
0.8417	Intermediate Similarity	NPC189248
0.8417	Intermediate Similarity	NPC74817
0.8417	Intermediate Similarity	NPC210355
0.8403	Intermediate Similarity	NPC64391
0.839	Intermediate Similarity	NPC84086
0.839	Intermediate Similarity	NPC95168
0.839	Intermediate Similarity	NPC136319
0.8378	Intermediate Similarity	NPC257124
0.8378	Intermediate Similarity	NPC156840
0.8378	Intermediate Similarity	NPC8547
0.8378	Intermediate Similarity	NPC78918
0.8378	Intermediate Similarity	NPC245552
0.8378	Intermediate Similarity	NPC55300
0.8378	Intermediate Similarity	NPC173746
0.8378	Intermediate Similarity	NPC139617
0.8362	Intermediate Similarity	NPC177475
0.8362	Intermediate Similarity	NPC35071
0.8362	Intermediate Similarity	NPC148615
0.8348	Intermediate Similarity	NPC255675
0.8347	Intermediate Similarity	NPC31707
0.8347	Intermediate Similarity	NPC328682
0.8347	Intermediate Similarity	NPC474651
0.8347	Intermediate Similarity	NPC304747
0.8347	Intermediate Similarity	NPC28765
0.8347	Intermediate Similarity	NPC109275
0.8347	Intermediate Similarity	NPC207702
0.8347	Intermediate Similarity	NPC186843
0.8347	Intermediate Similarity	NPC98631
0.8347	Intermediate Similarity	NPC154866
0.8347	Intermediate Similarity	NPC54321
0.8347	Intermediate Similarity	NPC281864
0.8347	Intermediate Similarity	NPC222127
0.8347	Intermediate Similarity	NPC210674
0.8347	Intermediate Similarity	NPC206615
0.8347	Intermediate Similarity	NPC283114
0.8347	Intermediate Similarity	NPC82862
0.8347	Intermediate Similarity	NPC470213
0.8347	Intermediate Similarity	NPC149008
0.8347	Intermediate Similarity	NPC474623
0.8333	Intermediate Similarity	NPC141090
0.8333	Intermediate Similarity	NPC203113
0.8319	Intermediate Similarity	NPC122792
0.8319	Intermediate Similarity	NPC228972
0.8305	Intermediate Similarity	NPC135414
0.8305	Intermediate Similarity	NPC246967
0.8304	Intermediate Similarity	NPC165646
0.8288	Intermediate Similarity	NPC106141
0.8288	Intermediate Similarity	NPC31279
0.8279	Intermediate Similarity	NPC190144
0.8279	Intermediate Similarity	NPC48315
0.8279	Intermediate Similarity	NPC202582
0.8279	Intermediate Similarity	NPC150809
0.8279	Intermediate Similarity	NPC218856

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC165386 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	279
0.1-0.2	1120
0.2-0.3	2052
0.3-0.4	2683
0.4-0.5	1569
0.5-0.6	897
0.6-0.7	484
0.7-0.8	69
0.8-0.85	5
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8783	High Similarity	NPD2981	Phase 2
0.8707	High Similarity	NPD2982	Phase 2
0.8707	High Similarity	NPD2983	Phase 2
0.8417	Intermediate Similarity	NPD3018	Phase 2
0.8378	Intermediate Similarity	NPD228	Approved
0.8279	Intermediate Similarity	NPD3027	Phase 3
0.823	Intermediate Similarity	NPD5283	Phase 1
0.8067	Intermediate Similarity	NPD3705	Approved
0.7967	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD5536	Phase 2
0.7903	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7891	Intermediate Similarity	NPD6111	Discontinued
0.7815	Intermediate Similarity	NPD1357	Approved
0.7795	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7795	Intermediate Similarity	NPD1613	Approved
0.7769	Intermediate Similarity	NPD3539	Phase 1
0.771	Intermediate Similarity	NPD3540	Phase 1
0.7636	Intermediate Similarity	NPD1242	Phase 1
0.7583	Intermediate Similarity	NPD1548	Phase 1
0.7544	Intermediate Similarity	NPD1358	Approved
0.75	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD2219	Phase 1
0.748	Intermediate Similarity	NPD1610	Phase 2
0.7478	Intermediate Similarity	NPD2684	Approved
0.7426	Intermediate Similarity	NPD7124	Phase 2
0.7391	Intermediate Similarity	NPD290	Approved
0.7372	Intermediate Similarity	NPD5297	Approved
0.7372	Intermediate Similarity	NPD4357	Discontinued
0.736	Intermediate Similarity	NPD4749	Approved
0.7355	Intermediate Similarity	NPD1408	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD422	Phase 1
0.7339	Intermediate Similarity	NPD9296	Approved
0.7323	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD1424	Approved
0.7304	Intermediate Similarity	NPD3134	Approved
0.7295	Intermediate Similarity	NPD7533	Approved
0.7295	Intermediate Similarity	NPD7534	Approved
0.7266	Intermediate Similarity	NPD1349	Approved
0.7266	Intermediate Similarity	NPD1351	Approved
0.7266	Intermediate Similarity	NPD1350	Approved
0.7266	Intermediate Similarity	NPD9494	Approved
0.7257	Intermediate Similarity	NPD291	Approved
0.7257	Intermediate Similarity	NPD940	Approved
0.7257	Intermediate Similarity	NPD846	Approved
0.7252	Intermediate Similarity	NPD1558	Phase 1
0.7227	Intermediate Similarity	NPD7843	Approved
0.7214	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD4908	Phase 1
0.7209	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD230	Phase 1
0.719	Intermediate Similarity	NPD7157	Approved
0.7165	Intermediate Similarity	NPD2922	Phase 1
0.7154	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD5451	Approved
0.7113	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD4005	Discontinued
0.7099	Intermediate Similarity	NPD5109	Approved
0.7099	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD3144	Approved
0.7099	Intermediate Similarity	NPD5110	Phase 2
0.7099	Intermediate Similarity	NPD3145	Approved
0.7099	Intermediate Similarity	NPD5111	Phase 2
0.7099	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD5718	Phase 2
0.7063	Intermediate Similarity	NPD4675	Approved
0.7063	Intermediate Similarity	NPD4678	Approved
0.7059	Intermediate Similarity	NPD1375	Discontinued
0.7045	Intermediate Similarity	NPD2674	Phase 3
0.7045	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD1653	Approved
0.7023	Intermediate Similarity	NPD4625	Phase 3
0.7014	Intermediate Similarity	NPD5090	Approved
0.7014	Intermediate Similarity	NPD5089	Approved
0.6992	Remote Similarity	NPD3620	Phase 2
0.6992	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD4750	Phase 3
0.697	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD1934	Approved
0.6966	Remote Similarity	NPD37	Approved
0.696	Remote Similarity	NPD5691	Approved
0.696	Remote Similarity	NPD1651	Approved
0.6957	Remote Similarity	NPD4236	Phase 3
0.6957	Remote Similarity	NPD4237	Approved
0.6947	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD821	Approved
0.694	Remote Similarity	NPD3657	Discovery
0.6929	Remote Similarity	NPD1091	Approved
0.6918	Remote Similarity	NPD2801	Approved
0.6918	Remote Similarity	NPD4585	Approved
0.6909	Remote Similarity	NPD9365	Approved
0.6905	Remote Similarity	NPD1778	Approved
0.6905	Remote Similarity	NPD4626	Approved
0.6905	Remote Similarity	NPD17	Approved
0.6885	Remote Similarity	NPD1241	Discontinued
0.6884	Remote Similarity	NPD970	Clinical (unspecified phase)
0.688	Remote Similarity	NPD1182	Approved
0.6879	Remote Similarity	NPD1511	Approved
0.6871	Remote Similarity	NPD5353	Approved
0.6871	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD3817	Phase 2
0.6866	Remote Similarity	NPD1240	Approved
0.6864	Remote Similarity	NPD968	Approved
0.6838	Remote Similarity	NPD6895	Approved
0.6838	Remote Similarity	NPD6896	Approved
0.6835	Remote Similarity	NPD3060	Approved
0.6833	Remote Similarity	NPD3021	Approved
0.6833	Remote Similarity	NPD3022	Approved
0.6833	Remote Similarity	NPD556	Approved
0.6824	Remote Similarity	NPD4967	Phase 2
0.6824	Remote Similarity	NPD6788	Approved
0.6824	Remote Similarity	NPD3882	Suspended
0.6824	Remote Similarity	NPD4965	Approved
0.6824	Remote Similarity	NPD4966	Approved
0.6822	Remote Similarity	NPD111	Approved
0.6815	Remote Similarity	NPD447	Suspended
0.6803	Remote Similarity	NPD5535	Approved
0.6797	Remote Similarity	NPD1281	Approved
0.6797	Remote Similarity	NPD776	Approved
0.6789	Remote Similarity	NPD9094	Approved
0.6788	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD1512	Approved
0.6779	Remote Similarity	NPD4055	Discovery
0.6779	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD6671	Approved
0.6774	Remote Similarity	NPD709	Approved
0.6769	Remote Similarity	NPD8651	Approved
0.6765	Remote Similarity	NPD2492	Phase 1
0.6765	Remote Similarity	NPD1772	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD1607	Approved
0.6765	Remote Similarity	NPD2653	Approved
0.6761	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD1608	Approved
0.6742	Remote Similarity	NPD2861	Phase 2
0.6739	Remote Similarity	NPD2796	Approved
0.6739	Remote Similarity	NPD2161	Phase 2
0.6733	Remote Similarity	NPD6234	Discontinued
0.6733	Remote Similarity	NPD919	Approved
0.6727	Remote Similarity	NPD9295	Approved
0.6716	Remote Similarity	NPD1296	Phase 2
0.6714	Remote Similarity	NPD1652	Phase 2
0.6713	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD4123	Phase 3
0.6713	Remote Similarity	NPD3146	Approved
0.6693	Remote Similarity	NPD9268	Approved
0.6693	Remote Similarity	NPD5585	Approved
0.6692	Remote Similarity	NPD1669	Approved
0.6692	Remote Similarity	NPD5327	Phase 3
0.6692	Remote Similarity	NPD3537	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD5677	Discontinued
0.6689	Remote Similarity	NPD5494	Approved
0.6667	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1510	Phase 2
0.6645	Remote Similarity	NPD7199	Phase 2
0.6645	Remote Similarity	NPD1247	Approved
0.6643	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD7153	Discontinued
0.6643	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD2808	Discontinued
0.6642	Remote Similarity	NPD3180	Approved
0.6642	Remote Similarity	NPD3179	Approved
0.6641	Remote Similarity	NPD5846	Approved
0.6641	Remote Similarity	NPD2668	Approved
0.6641	Remote Similarity	NPD1283	Approved
0.6641	Remote Similarity	NPD2667	Approved
0.6641	Remote Similarity	NPD6516	Phase 2
0.6639	Remote Similarity	NPD9697	Approved
0.6639	Remote Similarity	NPD9280	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD6099	Approved
0.6619	Remote Similarity	NPD6100	Approved
0.6618	Remote Similarity	NPD2238	Phase 2
0.6615	Remote Similarity	NPD1840	Phase 2
0.6615	Remote Similarity	NPD9269	Phase 2
0.6604	Remote Similarity	NPD9093	Approved
0.6601	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6601	Remote Similarity	NPD6232	Discontinued
0.66	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD6674	Discontinued
0.6596	Remote Similarity	NPD4162	Approved
0.6596	Remote Similarity	NPD5177	Phase 3
0.6589	Remote Similarity	NPD3496	Discontinued
0.6587	Remote Similarity	NPD3596	Phase 2
0.6585	Remote Similarity	NPD1137	Approved
0.6585	Remote Similarity	NPD1139	Approved
0.6579	Remote Similarity	NPD2933	Approved
0.6579	Remote Similarity	NPD2934	Approved
0.6579	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD4210	Discontinued
0.6575	Remote Similarity	NPD3686	Approved
0.6575	Remote Similarity	NPD3687	Approved
0.6569	Remote Similarity	NPD1933	Approved
0.6558	Remote Similarity	NPD5242	Approved
0.6558	Remote Similarity	NPD3926	Phase 2

Structure

External Identifiers

PubChem CID	80922
ChEMBL	CHEMBL156710
ZINC

Physicochemical Properties

Molecular Weight:	182.09
ALogP:	0.4866
MLogP:	2.23
XLogP:	1.787
# Rotatable Bonds:	7
Polar Surface Area:	27.69
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	1
# Heavy Atoms:	13

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