General Information of the Compound
| Compound ID |
CP0711830
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| Compound Name |
(4-Phenylphenyl)N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]carbamate Hydrochloride
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| Structure |
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| Formula |
C27H30Cl3N3O2
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| Molecular Weight |
534.915
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H29Cl2N3O2.ClH/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21;/h1-3,6-14H,4-5,15-20H2,(H,30,33);1H
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| InChIKey |
FFOFVBVSVNPYLB-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor