General Information of the Compound
| Compound ID |
CP0157904
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| Compound Name |
[4-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C18H21ClN6
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| Molecular Weight |
356.861
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| Canonical SMILES |
NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C18H21ClN6/c19-14-3-1-13(2-4-14)9-18(10-20)5-7-25(8-6-18)17-15-16(22-11-21-15)23-12-24-17/h1-4,11-12H,5-10,20H2,(H,21,22,23,24)
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| InChIKey |
ZJJCEVJPCBDRSR-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