General Information of the Compound
| Compound ID |
CP0571594
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| Compound Name |
2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C12H14N6O
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| Molecular Weight |
258.285
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| Canonical SMILES |
Nc1nc(N2CCC[C@H]2CO)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C12H14N6O/c13-4-7-5-15-10-9(7)11(17-12(14)16-10)18-3-1-2-8(18)6-19/h5,8,19H,1-3,6H2,(H3,14,15,16,17)/t8-/m0/s1
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| InChIKey |
QHWSYXQIIKGPPQ-QMMMGPOBSA-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