General Information of the Compound
| Compound ID |
CP0511252
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| Compound Name |
5-benzyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C26H26N6
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| Molecular Weight |
422.536
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| Canonical SMILES |
N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C26H26N6/c27-17-23-19-32(18-22-9-5-2-6-10-22)25-24(23)28-20-29-26(25)31-15-13-30(14-16-31)12-11-21-7-3-1-4-8-21/h1-10,19-20H,11-16,18H2
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| InChIKey |
NVQHPXFBRBZDCK-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