General Information of the Compound
| Compound ID |
CP0128784
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| Compound Name |
(S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
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| Structure |
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| Formula |
C19H17F2N7O
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| Molecular Weight |
397.389
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| Canonical SMILES |
N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(C#N)c12
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| InChI |
InChI=1S/C19H17F2N7O/c20-12-1-2-13(14(21)5-12)18(29)25-8-19(23)3-4-28(9-19)17-15-11(6-22)7-24-16(15)26-10-27-17/h1-2,5,7,10H,3-4,8-9,23H2,(H,25,29)(H,24,26,27)/t19-/m0/s1
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| InChIKey |
AUXJPQSJHPPESP-IBGZPJMESA-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