General Information of the Compound
| Compound ID |
CP0419891
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| Compound Name |
US9233968, 15
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| Structure |
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| Formula |
C28H17Cl2F2N7O2
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| Molecular Weight |
592.393
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2cn3nc(ccc3n2)C#Cc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1Cl
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| InChI |
InChI=1S/C28H17Cl2F2N7O2/c29-21-13-19(7-10-23(21)31)34-27(40)33-17-4-1-16(2-5-17)3-6-18-9-12-26-36-25(15-39(26)38-18)37-28(41)35-20-8-11-24(32)22(30)14-20/h1-2,4-5,7-15H,(H2,33,34,40)(H2,35,37,41)
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| InChIKey |
QMRCJNCHZJWJBA-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