General Information of the Compound
| Compound ID |
CP0403054
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cycloheptyl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C23H29BrN2O2
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| Molecular Weight |
445.401
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCCC1
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| InChI |
InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m0/s1
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| InChIKey |
CJONMKUBCIENBK-INIZCTEOSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor