General Information of the Compound
| Compound ID |
CP0455917
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| Compound Name |
5-cyclopropyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C22H24N6
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| Molecular Weight |
372.476
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| Canonical SMILES |
N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C22H24N6/c23-14-18-15-28(19-6-7-19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-5,15-16,19H,6-13H2
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| InChIKey |
OMWBXVGBOPPKFD-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
Protein ID: PT02516, Multidrug resistance-associated protein 1