General Information of the Compound
| Compound ID |
CP0577223
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| Compound Name |
N-[3-[(4S)-2-amino-4-methyl-1-(oxan-4-yl)-6-oxo-5H-pyrimidin-4-yl]-2-chlorophenyl]benzamide
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| Structure |
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| Formula |
C23H25ClN4O3
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| Molecular Weight |
440.931
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| Canonical SMILES |
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(NC(=O)c2ccccc2)c1Cl
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| InChI |
InChI=1S/C23H25ClN4O3/c1-23(14-19(29)28(22(25)27-23)16-10-12-31-13-11-16)17-8-5-9-18(20(17)24)26-21(30)15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H2,25,27)(H,26,30)/t23-/m0/s1
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| InChIKey |
XLTGKSSWCQBJHD-QHCPKHFHSA-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