General Information of the Compound
| Compound ID |
CP0413494
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| Compound Name |
US9216968, 125
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| Structure |
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| Formula |
C27H23Cl3N4O2
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| Molecular Weight |
541.866
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(nc12)C1CCCC1
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| InChI |
InChI=1S/C27H23Cl3N4O2/c1-14-20(29)7-4-8-22(14)33-27(36)19-12-17(31-26(35)18-11-16(28)9-10-21(18)30)13-23-24(19)34-25(32-23)15-5-2-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
ZMYZFRKFEMJFJB-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