General Information of the Compound
| Compound ID |
CP0531328
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| Compound Name |
US9428456, 1.225
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| Structure |
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| Formula |
C25H28ClF3N4O2
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| Molecular Weight |
508.972
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| Canonical SMILES |
FC(F)(F)c1cncc(c1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C25H28ClF3N4O2/c26-22-6-5-21(32-24(35)17-11-19(14-30-13-17)25(27,28)29)12-18(22)15-33-9-7-16(8-10-33)23(34)31-20-3-1-2-4-20/h5-6,11-14,16,20H,1-4,7-10,15H2,(H,31,34)(H,32,35)
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| InChIKey |
XGLOUUCYALYPDG-UHFFFAOYSA-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