General Information of the Compound
| Compound ID |
CP0518827
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| Compound Name |
US9216968, 182
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| Structure |
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| Formula |
C24H20Cl2FN5O2
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| Molecular Weight |
500.361
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| Canonical SMILES |
CN(C)c1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C24H20Cl2FN5O2/c1-12-15(25)6-5-9-18(12)29-22(33)14-10-13(11-19-21(14)31-24(30-19)32(2)3)28-23(34)20-16(26)7-4-8-17(20)27/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
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| InChIKey |
BQYBXELFRCBJHT-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