General Information of the Compound
| Compound ID |
CP0805510
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| Compound Name |
5-bromo-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H25BrCl2N4O
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| Molecular Weight |
524.29
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| Canonical SMILES |
O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1
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| InChI |
InChI=1S/C23H25BrCl2N4O/c24-17-6-7-19-16(14-17)15-20(28-19)23(31)27-8-1-2-9-29-10-12-30(13-11-29)21-5-3-4-18(25)22(21)26/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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| InChIKey |
IZFJEANBTQYYTG-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: PT01161, D(4) dopamine receptor