General Information of the Compound
| Compound ID |
CP0277398
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| Compound Name |
(S)-1-(1H-Indol-4-yloxy)-3-(3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-propan-2-ol
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| Structure |
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| Formula |
C28H28N2O2
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| Molecular Weight |
424.544
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| Canonical SMILES |
O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C28H28N2O2/c31-25(18-32-28-7-3-6-27-26(28)12-13-29-27)17-30-23-10-11-24(30)16-22(15-23)21-9-8-19-4-1-2-5-20(19)14-21/h1-9,12-15,23-25,29,31H,10-11,16-18H2/t23?,24?,25-/m0/s1
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| InChIKey |
ZECABFDWVHQCGW-STEQJIOHSA-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