General Information of the Compound
| Compound ID |
CP0577525
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| Compound Name |
9-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
CN1C[C@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
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| InChI |
InChI=1S/C21H22FN7O/c1-12-7-16-13(5-4-6-23-16)8-15(12)25-20-24-9-17-19(26-20)29(21(30)28(17)3)18-11-27(2)10-14(18)22/h4-9,14,18H,10-11H2,1-3H3,(H,24,25,26)/t14-,18+/m0/s1
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| InChIKey |
DRERCWQPCPCMRM-KBXCAEBGSA-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