General Information of the Compound
| Compound ID |
CP0498535
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| Compound Name |
CHEMBL4780335
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| Formula |
C24H31ClN2O2
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| Molecular Weight |
414.977
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C24H31ClN2O2/c1-17-16-27(13-11-19-6-7-20(25)15-22(17)19)12-10-18-4-8-21(9-5-18)26-24(28)23-3-2-14-29-23/h2-3,6-7,14-15,17-18,21H,4-5,8-13,16H2,1H3,(H,26,28)/t17-,18-,21-/m0/s1
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| InChIKey |
KHPOIBBWMVNTMI-WFXMLNOXSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor