General Information of the Compound
| Compound ID |
CP0118296
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| Compound Name |
US8716285, 14
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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 |
ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H19ClN4O2/c22-17-3-1-2-14(11-17)19-8-9-23-21(25-19)24-18-7-6-13-4-5-15(20(27)26-28)10-16(13)12-18/h1-5,8-11,18,28H,6-7,12H2,(H,26,27)(H,23,24,25)
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| InChIKey |
BLQDCUAHMUDLRG-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