General Information of the Compound
| Compound ID |
CP0012353
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| Compound Name |
CHEMBL4216607
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| Formula |
C23H30ClN7
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| Molecular Weight |
439.995
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C3CCCCC3)c2n1
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| InChI |
InChI=1S/C23H30ClN7/c24-15-6-10-17(11-7-15)27-21-20-22(31(14-26-20)19-4-2-1-3-5-19)30-23(29-21)28-18-12-8-16(25)9-13-18/h6-7,10-11,14,16,18-19H,1-5,8-9,12-13,25H2,(H2,27,28,29,30)/t16-,18-
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| InChIKey |
KHPLNOKXJGFVAI-SAABIXHNSA-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