General Information of the Compound
| Compound ID |
CP0532273
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| Compound Name |
CHEMBL4638800
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| Formula |
C24H27Cl2N5O2
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| Molecular Weight |
488.419
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| Canonical SMILES |
CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(N)=O
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| InChI |
InChI=1S/C24H27Cl2N5O2/c1-31(2)12-13-3-5-15(6-4-13)29-21-16(24(27)33)11-28-20-8-7-19(30-22(20)21)14-9-17(25)23(32)18(26)10-14/h7-11,13,15,32H,3-6,12H2,1-2H3,(H2,27,33)(H,28,29)/t13-,15-
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| InChIKey |
YCNBKHNGUIOJLY-CTYIDZIISA-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