General Information of the Compound
| Compound ID |
CP0556486
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| Compound Name |
1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
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| Structure |
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| Formula |
C14H13ClN4O2
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| Molecular Weight |
304.737
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| Canonical SMILES |
NC(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
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| InChI |
InChI=1S/C14H13ClN4O2/c15-10-5-11(14(18)21)12(16)19(7-10)6-8-2-1-3-9(4-8)13(17)20/h1-5,7,16H,6H2,(H2,17,20)(H2,18,21)
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| InChIKey |
OOTPLXIDOHXHJG-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