General Information of the Compound
| Compound ID |
CP0002910
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| Compound Name |
CHEMBL4214781
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| Formula |
C25H28ClN7O
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| Molecular Weight |
478
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| Canonical SMILES |
COc1ccc(Cn2cnc3c(Nc4cccc(Cl)c4)nc(N[C@H]4CC[C@H](N)CC4)nc23)cc1
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| InChI |
InChI=1S/C25H28ClN7O/c1-34-21-11-5-16(6-12-21)14-33-15-28-22-23(29-20-4-2-3-17(26)13-20)31-25(32-24(22)33)30-19-9-7-18(27)8-10-19/h2-6,11-13,15,18-19H,7-10,14,27H2,1H3,(H2,29,30,31,32)/t18-,19-
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| InChIKey |
UHMSQHCBPDRWJC-WGSAOQKQSA-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