General Information of the Compound
| Compound ID |
CP0426126
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| Compound Name |
2-methoxy-N-[[1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H38N4O2
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| Molecular Weight |
450.627
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| Canonical SMILES |
COc1ccccc1C(=O)NCC1(CCN(CC1)c1ccccc1)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C27H38N4O2/c1-22(2)29-17-19-31(20-18-29)27(13-15-30(16-14-27)23-9-5-4-6-10-23)21-28-26(32)24-11-7-8-12-25(24)33-3/h4-12,22H,13-21H2,1-3H3,(H,28,32)
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| InChIKey |
QQYVQGUQVYVEFA-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: PT05165, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4