General Information of the Compound
| Compound ID |
CP0418130
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| Compound Name |
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyrimidine-2-carboxamide
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| Structure |
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| Formula |
C18H19ClN4O2
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| Molecular Weight |
358.829
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ncccn1
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| InChI |
InChI=1S/C18H19ClN4O2/c19-13-5-1-4-12(10-13)17(24)22-14-6-2-7-15(11-14)23-18(25)16-20-8-3-9-21-16/h1,3-5,8-10,14-15H,2,6-7,11H2,(H,22,24)(H,23,25)/t14-,15-/m0/s1
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| InChIKey |
KLPMCAKLBRUQAT-GJZGRUSLSA-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