General Information of the Compound
| Compound ID |
CP0554178
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| Compound Name |
US8987473, 164
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| Structure |
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| Formula |
C18H16ClN7
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| Molecular Weight |
365.828
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(cnc12)-c1nnn[nH]1
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| InChI |
InChI=1S/C18H16ClN7/c1-10-17-16(7-12(8-20-17)18-21-24-25-22-18)26(23-10)9-14-13(11-5-6-11)3-2-4-15(14)19/h2-4,7-8,11H,5-6,9H2,1H3,(H,21,22,24,25)
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| InChIKey |
KKEHRCXNWIVIHK-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