General Information of the Compound
| Compound ID |
CP0148604
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| Compound Name |
2-[4-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C27H35N7
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| Molecular Weight |
457.626
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
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| InChI |
InChI=1S/C27H35N7/c1-31(2)14-15-32-16-18-34(19-17-32)27-23-21-33(20-22-8-4-3-5-9-22)13-11-24(23)29-26(30-27)25-10-6-7-12-28-25/h3-10,12H,11,13-21H2,1-2H3
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| InChIKey |
AICNLTQSPMIGKN-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: PT02042, Cystic fibrosis transmembrane conductance regulator