General Information of the Compound
| Compound ID |
CP0542091
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| Compound Name |
CHEMBL4644073
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| Formula |
C25H29Cl2N5O2
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| Molecular Weight |
502.446
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| Canonical SMILES |
CNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C25H29Cl2N5O2/c1-28-25(34)17-12-29-21-9-8-20(15-10-18(26)24(33)19(27)11-15)31-23(21)22(17)30-16-6-4-14(5-7-16)13-32(2)3/h8-12,14,16,33H,4-7,13H2,1-3H3,(H,28,34)(H,29,30)/t14-,16-
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| InChIKey |
CCDXMWROQPVQFI-KOMQPUFPSA-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