General Information of the Compound
| Compound ID |
CP0553498
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| Compound Name |
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C25H36N6
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| Molecular Weight |
420.605
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(C)n1
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| InChI |
InChI=1S/C25H36N6/c1-20-23-10-15-31(14-5-13-29-11-3-4-12-29)25(23)27-24(26-20)21-6-8-22(9-7-21)30-18-16-28(2)17-19-30/h6-9H,3-5,10-19H2,1-2H3
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| InChIKey |
LRKXPYRKPKLGSS-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