General Information of the Compound
| Compound ID |
CP0433904
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| Compound Name |
4-[2-amino-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
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| Structure |
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| Formula |
C18H19N7
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| Molecular Weight |
333.399
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H19N7/c1-24-6-8-25(9-7-24)17-14-10-15(21-16(14)22-18(20)23-17)13-4-2-12(11-19)3-5-13/h2-5,10H,6-9H2,1H3,(H3,20,21,22,23)
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| InChIKey |
RZQJQMRPNLJMJL-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