General Information of the Compound
| Compound ID |
CP0344358
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| Compound Name |
4-amino-7-methyl-2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C20H25N9O
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| Molecular Weight |
407.482
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| Canonical SMILES |
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C4COC4)c3C)nc2n1C
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| InChI |
InChI=1S/C20H25N9O/c1-11-5-4-6-28(11)19-14(7-21)16-17(22)25-20(26-18(16)27(19)3)24-15-8-23-29(12(15)2)13-9-30-10-13/h8,11,13H,4-6,9-10H2,1-3H3,(H3,22,24,25,26)/t11-/m1/s1
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| InChIKey |
WWIVCGSWGVTZKO-LLVKDONJSA-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