General Information of the Compound
| Compound ID |
CP0403271
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| Compound Name |
3-amino-6-chloro-N-(diaminomethylidene)-5-[2-(4-methoxyphenyl)ethylamino]pyrazine-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C15H19Cl2N7O2
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| Molecular Weight |
400.27
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| Canonical SMILES |
Cl.COc1ccc(CCNc2nc(N)c(nc2Cl)C(=O)N=C(N)N)cc1
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| InChI |
InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-8(3-5-9)6-7-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-5H,6-7H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H
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| InChIKey |
VSOKGRSKVWZQKE-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