General Information of the Compound
| Compound ID |
CP0504951
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-5,6-di(cycloheptyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C32H42N6
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| Molecular Weight |
510.73
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| Canonical SMILES |
N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2
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| InChIKey |
QFADDTASKZIHPQ-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1