General Information of the Compound
| Compound ID |
CP0091917
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-iodo-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H25Cl2IN4O2
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| Molecular Weight |
587.289
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| Canonical SMILES |
OC(CCNC(=O)c1cc2cc(I)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C23H25Cl2IN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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| InChIKey |
XIJZOWGASFOIBM-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