General Information of the Compound
| Compound ID |
CP0023225
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| Compound Name |
6-N-(3-amino-5-chlorophenyl)-2-N-[(3S)-piperidin-3-yl]-9-propan-2-ylpurine-2,6-diamine
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| Structure |
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| Formula |
C19H25ClN8
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| Molecular Weight |
400.918
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| Canonical SMILES |
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12
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| InChI |
InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1
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| InChIKey |
DLDXMINZRQNSDI-AWEZNQCLSA-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