General Information of the Compound
| Compound ID |
CP0914958
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| Compound Name |
endo-8-(1H-Indol-3-ylmethyl)-3-(2-naphthyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C26H26N2O
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| Molecular Weight |
382.507
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| Canonical SMILES |
O[C@@]1(c2ccc3ccccc3c2)C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H26N2O/c29-26(21-10-9-18-5-1-2-6-19(18)13-21)14-22-11-12-23(15-26)28(22)17-20-16-27-25-8-4-3-7-24(20)25/h1-10,13,16,22-23,27,29H,11-12,14-15,17H2/t22-,23+,26+
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| InChIKey |
YJKBKDOYRHHENB-QXSURTEESA-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