General Information of the Compound
| Compound ID |
CP0506444
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| Compound Name |
N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C22H29N5O
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| Molecular Weight |
379.508
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| Canonical SMILES |
NCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28)
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| InChIKey |
FQOURJZKLBJPLD-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