General Information of the Compound
| Compound ID |
CP0154887
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| Compound Name |
N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-7H-purin-2-yl]pyrrolidin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C17H20FN9O2
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| Molecular Weight |
401.406
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| Canonical SMILES |
COc1nn(C)cc1Nc1nc(nc2[nH]cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C
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| InChI |
InChI=1S/C17H20FN9O2/c1-4-12(28)21-10-7-27(5-9(10)18)17-23-14-13(19-8-20-14)15(24-17)22-11-6-26(2)25-16(11)29-3/h4,6,8-10H,1,5,7H2,2-3H3,(H,21,28)(H2,19,20,22,23,24)/t9-,10-/m1/s1
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| InChIKey |
CSAIINNXPJUNPK-NXEZZACHSA-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