General Information of the Compound
| Compound ID |
CP0531310
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| Compound Name |
US9428456, 1.224
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| Structure |
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| Formula |
C24H28ClFN4O2
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| Molecular Weight |
458.965
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| Canonical SMILES |
Fc1ccc(nc1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C24H28ClFN4O2/c25-21-7-6-20(29-24(32)22-8-5-18(26)14-27-22)13-17(21)15-30-11-9-16(10-12-30)23(31)28-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,28,31)(H,29,32)
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| InChIKey |
UFKCJNOHPQFFOM-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