General Information of the Compound
| Compound ID |
CP0433417
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| Compound Name |
methyl N-[3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]carbamate
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| Structure |
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| Formula |
C18H18N4O4S
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| Molecular Weight |
386.433
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| Canonical SMILES |
COC(=O)Nc1cccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c1
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| InChI |
InChI=1S/C18H18N4O4S/c1-25-13-6-7-14-15(9-13)22-17(21-14)27-10-16(23)19-11-4-3-5-12(8-11)20-18(24)26-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
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| InChIKey |
HPGRXBXXJWVYCN-UHFFFAOYSA-N
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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