General Information of the Compound
| Compound ID |
CP0496375
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| Compound Name |
4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylamino]-2,2-diphenylbutanenitrile
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| Structure |
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| Formula |
C30H34Cl2N4
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| Molecular Weight |
521.536
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNCCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C30H34Cl2N4/c31-27-14-9-15-28(29(27)32)36-22-20-35(21-23-36)19-8-7-17-34-18-16-30(24-33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,9-15,34H,7-8,16-23H2
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| InChIKey |
IGIZYVFIPJBSBU-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: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor