General Information of the Compound
| Compound ID |
CP0518670
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| Compound Name |
US9428456, 1.089
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| Structure |
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| Formula |
C25H29Cl2FN4O2
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| Molecular Weight |
507.437
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| Canonical SMILES |
Fc1cc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c(Cl)nc1Cl
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| InChI |
InChI=1S/C25H29Cl2FN4O2/c26-22-20(14-21(28)23(27)31-22)25(34)30-19-8-4-5-16(13-19)15-32-11-9-17(10-12-32)24(33)29-18-6-2-1-3-7-18/h4-5,8,13-14,17-18H,1-3,6-7,9-12,15H2,(H,29,33)(H,30,34)
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| InChIKey |
LANYNRULEGIZIV-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