General Information of the Compound
| Compound ID |
CP0240733
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| Compound Name |
CHEMBL4789854
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| Formula |
C19H21N7O2
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| Molecular Weight |
379.424
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1N[C@@H]1C[C@@H]2CC[C@H](C1)N2
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| InChI |
InChI=1S/C19H21N7O2/c1-28-19(27)15-9-23-17(26-18-10-21-14(7-20)8-22-18)6-16(15)25-13-4-11-2-3-12(5-13)24-11/h6,8-13,24H,2-5H2,1H3,(H2,22,23,25,26)/t11-,12+,13+
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| InChIKey |
BBSDBCCFBLCBIV-ITGUQSILSA-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