General Information of the Compound
| Compound ID |
CP0496374
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| Compound Name |
4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylamino]-N,N-dimethyl-2,2-diphenylbutanamide
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| Structure |
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| Formula |
C32H40Cl2N4O
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| Molecular Weight |
567.605
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| Canonical SMILES |
CN(C)C(=O)C(CCNCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H40Cl2N4O/c1-36(2)31(39)32(26-12-5-3-6-13-26,27-14-7-4-8-15-27)18-20-35-19-9-10-21-37-22-24-38(25-23-37)29-17-11-16-28(33)30(29)34/h3-8,11-17,35H,9-10,18-25H2,1-2H3
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| InChIKey |
RSCLYSXBPPXRCJ-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