General Information of the Compound
| Compound ID |
CP0379724
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| Compound Name |
4-chloro-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 |
C24H33ClN6
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| Molecular Weight |
441.023
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(Cl)n1
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| InChI |
InChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
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| InChIKey |
STJYNRMIXPPOHW-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