General Information of the Compound
| Compound ID |
CP0571477
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-[(1-methylpyrrolidine-2-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C26H32N6O5
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| Molecular Weight |
508.579
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)C3CCCN3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C26H32N6O5/c1-31-12-6-10-20(31)24(34)30-25-29-19-14-18(23(27)33)15-21(36-2)22(19)32(25)13-7-11-28-26(35)37-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,30,34)
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| InChIKey |
WDRHCVIYNJNZEG-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