General Information of the Compound
| Compound ID |
CP0573477
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| Compound Name |
4-amino-2-[[1-[(3-hydroxyoxetan-3-yl)methyl]-3-methylpyrazol-4-yl]amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C21H27N9O2
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| Molecular Weight |
437.508
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| Canonical SMILES |
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(CC4(O)COC4)nc3C)nc2n1C
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| InChI |
InChI=1S/C21H27N9O2/c1-12-5-4-6-30(12)19-14(7-22)16-17(23)25-20(26-18(16)28(19)3)24-15-8-29(27-13(15)2)9-21(31)10-32-11-21/h8,12,31H,4-6,9-11H2,1-3H3,(H3,23,24,25,26)/t12-/m1/s1
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| InChIKey |
LSJPGDQCAAANFG-GFCCVEGCSA-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