General Information of the Compound
| Compound ID |
CP0413163
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| Compound Name |
US9216968, 126
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| Structure |
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| Formula |
C27H23Cl2FN4O2
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| Molecular Weight |
525.411
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(nc12)C1CCCC1
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| InChI |
InChI=1S/C27H23Cl2FN4O2/c1-14-18(28)8-5-11-21(14)33-26(35)17-12-16(31-27(36)23-19(29)9-4-10-20(23)30)13-22-24(17)34-25(32-22)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,31,36)(H,32,34)(H,33,35)
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| InChIKey |
BHZXMYOYPNNKLK-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