General Information of the Compound
| Compound ID |
CP0460093
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| Compound Name |
US8598357, 77
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| Formula |
C27H34ClN3O3
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| Molecular Weight |
484.04
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| Canonical SMILES |
Clc1ccc(NC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)cc1
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| InChI |
InChI=1S/C27H34ClN3O3/c28-21-6-10-23(11-7-21)30-27(32)29-22-8-4-19(5-9-22)12-15-31-16-13-20(14-17-31)24-2-1-3-25-26(24)34-18-33-25/h1-3,6-7,10-11,19-20,22H,4-5,8-9,12-18H2,(H2,29,30,32)/t19-,22-
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| InChIKey |
GLBVEJHGCUMFCU-XYWHTSSQSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor