General Information of the Compound
| Compound ID |
CP0445461
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| Compound Name |
5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C25H24N6
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| Molecular Weight |
408.509
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| Canonical SMILES |
N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C25H24N6/c26-17-21-18-31(22-9-5-2-6-10-22)24-23(21)27-19-28-25(24)30-15-13-29(14-16-30)12-11-20-7-3-1-4-8-20/h1-10,18-19H,11-16H2
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| InChIKey |
CQZKNSHMFZFPME-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