General Information of the Compound
| Compound ID |
CP0511071
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| Compound Name |
6-(cyclohexylamino)-N-(4-(hydroxymethyl)phenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
OCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
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| InChI |
InChI=1S/C18H22N4O2/c23-11-13-6-8-15(9-7-13)22-18(24)16-10-17(20-12-19-16)21-14-4-2-1-3-5-14/h6-10,12,14,23H,1-5,11H2,(H,22,24)(H,19,20,21)
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| InChIKey |
PKIVOALPEIWBSN-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