General Information of the Compound
| Compound ID |
CP0344357
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| Compound Name |
4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H20F3N9
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| Molecular Weight |
419.415
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| Canonical SMILES |
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C(F)(F)F)nc2n1C
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| InChI |
InChI=1S/C18H20F3N9/c1-9-5-4-6-30(9)16-10(7-22)12-14(23)25-17(26-15(12)29(16)3)24-11-8-28(2)27-13(11)18(19,20)21/h8-9H,4-6H2,1-3H3,(H3,23,24,25,26)/t9-/m1/s1
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| InChIKey |
OMCQJTRDERMTMZ-SECBINFHSA-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