General Information of the Compound
| Compound ID |
CP0454686
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| Compound Name |
CHEMBL3987179
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| Formula |
C24H23ClF4N4O3
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| Molecular Weight |
526.918
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
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| InChI |
InChI=1S/C24H23ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)3-2-4-16(18)26)11-14(20-21(19)36-10-9-35-20)22(34)30-13-7-5-12(6-8-13)24(27,28)29/h2-4,11-13H,5-10H2,1H3,(H,30,34)(H,31,32)/t12-,13-
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| InChIKey |
WXTZJNZDFWXKDS-JOCQHMNTSA-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