General Information of the Compound
| Compound ID |
CP0065231
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| Compound Name |
methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
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| Structure |
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| Formula |
C14H11N3O3S
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| Molecular Weight |
301.327
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
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| InChI |
InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
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| InChIKey |
KYRVNWMVYQXFEU-UHFFFAOYSA-N
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| CAS |
31430-18-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT02805, CREB-binding protein
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01065, Serine/threonine-protein kinase mTOR