General Information of the Compound
| Compound ID |
CP0004057
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| Compound Name |
6-(2-chlorophenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H19ClN6
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| Molecular Weight |
402.889
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| Canonical SMILES |
Nc1nc(cc(n1)-c1ccccc1Cl)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C22H19ClN6/c23-19-10-2-1-9-18(19)20-13-21(28-22(24)27-20)29(14-16-7-3-5-11-25-16)15-17-8-4-6-12-26-17/h1-13H,14-15H2,(H2,24,27,28)
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| InChIKey |
FICJFODAMAGNAQ-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