General Information of the Compound
| Compound ID |
CP0459447
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| Compound Name |
4-[4-(2-phenylethyl)piperazin-1-yl]-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C28H30N6
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| Molecular Weight |
450.59
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| Canonical SMILES |
N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C28H30N6/c29-20-25-21-34(14-7-12-23-8-3-1-4-9-23)27-26(25)30-22-31-28(27)33-18-16-32(17-19-33)15-13-24-10-5-2-6-11-24/h1-6,8-11,21-22H,7,12-19H2
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| InChIKey |
IOGONIRFPFHOLN-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