General Information of the Compound
| Compound ID |
CP0491251
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| Compound Name |
N-[N'-[(3,5-dichlorophenyl)methyl]carbamimidoyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H21Cl2N5O2
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| Molecular Weight |
446.338
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C(=O)NC(N)=NCc2cc(Cl)cc(Cl)c2)c(C)nn1C
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| InChI |
InChI=1S/C21H21Cl2N5O2/c1-12-18(19(28(2)27-12)14-4-6-17(30-3)7-5-14)20(29)26-21(24)25-11-13-8-15(22)10-16(23)9-13/h4-10H,11H2,1-3H3,(H3,24,25,26,29)
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| InChIKey |
KCBZDZJRCWQDNY-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