General Information of the Compound
| Compound ID |
CP0539999
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| Compound Name |
CHEMBL4635633
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| Formula |
C24H26Cl2N4O3
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| Molecular Weight |
489.403
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| Canonical SMILES |
CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1c(CO)cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C24H26Cl2N4O3/c1-13(32)27-10-14-2-4-17(5-3-14)29-22-16(12-31)11-28-21-7-6-20(30-23(21)22)15-8-18(25)24(33)19(26)9-15/h6-9,11,14,17,31,33H,2-5,10,12H2,1H3,(H,27,32)(H,28,29)/t14-,17-
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| InChIKey |
MGAYWVQKEMBBIW-CZIWCDLHSA-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