General Information of the Compound
| Compound ID |
CP0532753
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| Compound Name |
CHEMBL3976312
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| Formula |
C25H25ClF4N4O3
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| Molecular Weight |
540.945
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
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| InChI |
InChI=1S/C25H25ClF4N4O3/c1-34-20-18(32-24(34)33-19-16(26)3-2-4-17(19)27)11-15(21-22(20)37-10-9-36-21)23(35)31-12-13-5-7-14(8-6-13)25(28,29)30/h2-4,11,13-14H,5-10,12H2,1H3,(H,31,35)(H,32,33)/t13-,14-
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| InChIKey |
BJOJSLMTLOYNFA-HDJSIYSDSA-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