General Information of the Compound
| Compound ID |
CP0470618
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| Compound Name |
6-(4-fluorophenyl)-7-methyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C17H19FN6
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| Molecular Weight |
326.379
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| Canonical SMILES |
Cn1c(cc2c(nc(N)nc12)N1CCNCC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H19FN6/c1-23-14(11-2-4-12(18)5-3-11)10-13-15(23)21-17(19)22-16(13)24-8-6-20-7-9-24/h2-5,10,20H,6-9H2,1H3,(H2,19,21,22)
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| InChIKey |
KVEMFVAGOHZQQS-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