General Information of the Compound
| Compound ID |
CP0090887
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| Compound Name |
US8716285, 4
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| Structure |
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| Formula |
C18H16ClN3O2
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| Molecular Weight |
341.798
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| Canonical SMILES |
ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C18H16ClN3O2/c19-17-9-16(6-4-13(17)10-20)21-15-5-3-11-1-2-12(18(23)22-24)7-14(11)8-15/h1-2,4,6-7,9,15,21,24H,3,5,8H2,(H,22,23)
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| InChIKey |
VBBLVDIRGKUPNB-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