General Information of the Compound
| Compound ID |
CP0565112
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| Compound Name |
CHEMBL4754005
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| Formula |
C20H17N9
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| Molecular Weight |
383.419
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| Canonical SMILES |
Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N
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| InChI |
InChI=1S/C20H17N9/c1-27-7-3-16(26-27)17-13-28-18(2-6-23-28)19(25-17)15-11-24-29(12-15)20(4-5-21)8-14(9-20)10-22/h2-3,6-7,11-14H,4,8-9H2,1H3/t14-,20-
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| InChIKey |
KOOMDXSXMHFXMV-OYOVHJISSA-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