General Information of the Compound
| Compound ID |
CP0162394
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| Compound Name |
5-(2,4-dichlorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
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| Structure |
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| Formula |
C16H13Cl2N5
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| Molecular Weight |
346.221
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| Canonical SMILES |
Nc1nc(nc(N)c1Cc1ccc(Cl)cc1Cl)-c1ccccn1
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| InChI |
InChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
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| InChIKey |
LUGXKWLXOYRDIS-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
Protein ID: PT06109, Geminin
Protein ID: PT06765, Hepcidin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic