General Information of the Compound
| Compound ID |
CP0551717
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-[(1-methylpiperidine-4-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C27H34N6O5
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| Molecular Weight |
522.606
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)C3CCN(C)CC3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C27H34N6O5/c1-32-13-9-19(10-14-32)25(35)31-26-30-21-15-20(24(28)34)16-22(37-2)23(21)33(26)12-6-11-29-27(36)38-17-18-7-4-3-5-8-18/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3,(H2,28,34)(H,29,36)(H,30,31,35)
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| InChIKey |
VMYMCXBXPGGXQF-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