General Information of the Compound
| Compound ID |
CP0569740
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| Compound Name |
tert-butyl N-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]carbamate
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| Structure |
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| Formula |
C25H33N7O5
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| Molecular Weight |
511.583
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\CNC(=O)OC(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C25H33N7O5/c1-7-32-18(12-15(2)30-32)22(34)29-23-28-17-13-16(21(26)33)14-19(36-6)20(17)31(23)11-9-8-10-27-24(35)37-25(3,4)5/h8-9,12-14H,7,10-11H2,1-6H3,(H2,26,33)(H,27,35)(H,28,29,34)/b9-8+
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| InChIKey |
XIHDGGXIQXHWON-CMDGGOBGSA-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