General Information of the Compound
| Compound ID |
CP0473479
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylimidazole-4-carboxamide
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| Structure |
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| Formula |
C27H31Cl2N5O4
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| Molecular Weight |
560.482
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| Canonical SMILES |
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)
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| InChIKey |
BZMIPAGTGZJILI-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