General Information of the Compound
| Compound ID |
CP0453995
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
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| Structure |
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| Formula |
C26H31Cl2N5O3
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| Molecular Weight |
532.472
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| Canonical SMILES |
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
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| InChI |
InChI=1S/C26H31Cl2N5O3/c1-17-25(30-18(2)33(17)21-8-4-5-10-23(21)36-3)26(35)29-15-19(34)16-31-11-13-32(14-12-31)22-9-6-7-20(27)24(22)28/h4-10,19,34H,11-16H2,1-3H3,(H,29,35)
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| InChIKey |
MMAQGTSQMRXGFK-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter