General Information of the Compound
| Compound ID |
CP0475772
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| Compound Name |
US9206164, 24
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| Structure |
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| Formula |
C21H19ClN4O2
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| Molecular Weight |
394.862
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)ccc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H19ClN4O2/c1-12-17(10-20(27)28)13(2)26(25-12)11-14-3-5-15(6-4-14)21-23-18-8-7-16(22)9-19(18)24-21/h3-9H,10-11H2,1-2H3,(H,23,24)(H,27,28)
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| InChIKey |
BPVOIXRIYPOXKL-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