General Information of the Compound
| Compound ID |
CP0532279
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| Compound Name |
CHEMBL4640744
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| Formula |
C23H24Cl2N4O3
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| Molecular Weight |
475.376
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| Canonical SMILES |
NC(=O)C[C@H]1CC[C@@H](CC1)Nc1c(CO)cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2N4O3/c24-16-8-13(9-17(25)23(16)32)18-5-6-19-22(29-18)21(14(11-30)10-27-19)28-15-3-1-12(2-4-15)7-20(26)31/h5-6,8-10,12,15,30,32H,1-4,7,11H2,(H2,26,31)(H,27,28)/t12-,15-
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| InChIKey |
VFDIMQLKYZQALF-NNUKFRKNSA-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