General Information of the Compound
| Compound ID |
CP0571593
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| Compound Name |
2-amino-4-[4-(3-hydroxypropyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C14H19N7O
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| Molecular Weight |
301.354
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| Canonical SMILES |
Nc1nc(N2CCN(CCCO)CC2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C14H19N7O/c15-8-10-9-17-12-11(10)13(19-14(16)18-12)21-5-3-20(4-6-21)2-1-7-22/h9,22H,1-7H2,(H3,16,17,18,19)
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| InChIKey |
QDJHFWLVJXMOGV-UHFFFAOYSA-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