General Information of the Compound
| Compound ID |
CP0420698
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| Compound Name |
5,6-di(cycloheptyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C31H40N6
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| Molecular Weight |
496.703
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| Canonical SMILES |
N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H40N6/c32-22-27-28-30(31(34-23-33-28)36-20-18-35(19-21-36)25-14-10-5-11-15-25)37(26-16-8-3-4-9-17-26)29(27)24-12-6-1-2-7-13-24/h5,10-11,14-15,23-24,26H,1-4,6-9,12-13,16-21H2
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| InChIKey |
MZQGJROBNUCMTG-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