General Information of the Compound
| Compound ID |
CP0473088
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| Compound Name |
CHEMBL4642529
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| Formula |
C24H25Cl2N5O
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| Molecular Weight |
470.404
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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
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| InChI |
InChI=1S/C24H25Cl2N5O/c1-31(2)13-14-3-5-17(6-4-14)29-22-16(11-27)12-28-21-8-7-20(30-23(21)22)15-9-18(25)24(32)19(26)10-15/h7-10,12,14,17,32H,3-6,13H2,1-2H3,(H,28,29)/t14-,17-
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| InChIKey |
DRCFASQQJKFJFY-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