General Information of the Compound
| Compound ID |
CP0935609
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| Compound Name |
endo-8-(1H-Indol-3-ylmethyl)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C22H22Cl2N2O
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| Molecular Weight |
401.337
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| Canonical SMILES |
O[C@@]1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H22Cl2N2O/c23-19-6-3-5-18(21(19)24)22(27)10-15-8-9-16(11-22)26(15)13-14-12-25-20-7-2-1-4-17(14)20/h1-7,12,15-16,25,27H,8-11,13H2/t15-,16+,22+
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| InChIKey |
UTSZTPIAGJECRH-BRLLKYFNSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor