General Information of the Compound
| Compound ID |
CP0463710
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| Compound Name |
Chk1_82
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| Structure |
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| Formula |
C17H15N3O
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| Molecular Weight |
277.327
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| Canonical SMILES |
COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1
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| InChI |
InChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)18-17-15-10-11-4-2-3-5-14(11)16(15)19-20-17/h2-9H,10H2,1H3,(H2,18,19,20)
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| InChIKey |
DSOLTOIQZRMXJS-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