General Information of the Compound
| Compound ID |
CP0639042
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| Compound Name |
Ethyl-[4'-methyl-5-(1-pyrazin-2-yl-ethylcarbamoyl)-biphenyl-3-yl]-carbamic acid isobutyl ester
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CCN(C(=O)OCC(C)C)c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C27H32N4O3/c1-6-31(27(33)34-17-18(2)3)24-14-22(21-9-7-19(4)8-10-21)13-23(15-24)26(32)30-20(5)25-16-28-11-12-29-25/h7-16,18,20H,6,17H2,1-5H3,(H,30,32)
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| InChIKey |
FDHXWYFPMKMIHX-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