General Information of the Compound
| Compound ID |
CP0430518
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| Compound Name |
3-Methyl-thiophene-2-carboxylic acid (4-{2-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-amide
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| Formula |
C24H31Cl2N3OS
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| Molecular Weight |
480.505
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| Canonical SMILES |
Cc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C24H31Cl2N3OS/c1-17-10-16-31-23(17)24(30)27-19-7-5-18(6-8-19)9-11-28-12-14-29(15-13-28)21-4-2-3-20(25)22(21)26/h2-4,10,16,18-19H,5-9,11-15H2,1H3,(H,27,30)/t18-,19-
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| InChIKey |
XYPNSIBKATVQIJ-WGSAOQKQSA-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