General Information of the Compound
| Compound ID |
CP0897138
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| Compound Name |
Tetralin-5-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C25H31Cl2N3O2
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| Molecular Weight |
476.448
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| Canonical SMILES |
O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc2c1CCCC2
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| InChI |
InChI=1S/C25H31Cl2N3O2/c26-21-10-6-11-22(24(21)27)30-17-15-29(16-18-30)14-4-3-13-28-25(31)32-23-12-5-8-19-7-1-2-9-20(19)23/h5-6,8,10-12H,1-4,7,9,13-18H2,(H,28,31)
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| InChIKey |
XDOOZCXRMFPQEM-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: PT01099, Fatty-acid amide hydrolase 1