General Information of the Compound
| Compound ID |
CP0482186
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| Compound Name |
6-(4-fluorophenyl)-N,N-dimethyl-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H23FN6
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| Molecular Weight |
354.433
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| Canonical SMILES |
CN(C)c1nc(N2CCN(C)CC2)c2cc([nH]c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C19H23FN6/c1-24(2)19-22-17-15(18(23-19)26-10-8-25(3)9-11-26)12-16(21-17)13-4-6-14(20)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)
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| InChIKey |
ICYXOXQWSOQPPE-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