General Information of the Compound
| Compound ID |
CP0387059
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| Compound Name |
benzyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C26H29N7O4
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| Molecular Weight |
503.563
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCNC(=O)OCc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H29N7O4/c1-3-33-22(14-17(2)31-33)24(35)30-25-29-20-15-19(23(27)34)10-11-21(20)32(25)13-7-12-28-26(36)37-16-18-8-5-4-6-9-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H2,27,34)(H,28,36)(H,29,30,35)
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| InChIKey |
IJSHVJXGHLYOSD-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