General Information of the Compound
| Compound ID |
CP0494945
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| Compound Name |
2-(1-Benzyl-piperidin-4-ylamino)-1-(4-methyl-2-phenyl-piperazin-1-yl)-ethanone
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| Structure |
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| Formula |
C25H34N4O
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| Molecular Weight |
406.574
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| Canonical SMILES |
CN1CCN(C(C1)c1ccccc1)C(=O)CNC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H34N4O/c1-27-16-17-29(24(20-27)22-10-6-3-7-11-22)25(30)18-26-23-12-14-28(15-13-23)19-21-8-4-2-5-9-21/h2-11,23-24,26H,12-20H2,1H3
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| InChIKey |
IAPWULQKEDSAGP-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor