General Information of the Compound
| Compound ID |
CP0447621
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C27H28N6
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| Molecular Weight |
436.563
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| Canonical SMILES |
N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H28N6/c28-18-24-20-33(13-7-12-22-8-3-1-4-9-22)26-25(24)29-21-30-27(26)32-16-14-31(15-17-32)19-23-10-5-2-6-11-23/h1-6,8-11,20-21H,7,12-17,19H2
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| InChIKey |
UXTNEHXIQRGRAG-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