General Information of the Compound
| Compound ID |
CP0470604
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| Compound Name |
(1R,5R,9R)-5-(3-hydroxyphenyl)-2-[[(1R,2S)-2-phenylcyclopropyl]methyl]-2-azabicyclo[3.3.1]nonan-9-ol;oxalic acid
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| Structure |
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| Formula |
C26H31NO6
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| Molecular Weight |
453.535
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| Canonical SMILES |
OC(=O)C(O)=O.O[C@H]1[C@H]2CCC[C@@]1(CCN2C[C@@H]1C[C@@H]1c1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C24H29NO2.C2H2O4/c26-20-9-4-8-19(15-20)24-11-5-10-22(23(24)27)25(13-12-24)16-18-14-21(18)17-6-2-1-3-7-17;3-1(4)2(5)6/h1-4,6-9,15,18,21-23,26-27H,5,10-14,16H2;(H,3,4)(H,5,6)/t18-,21+,22+,23-,24+;/m0./s1
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| InChIKey |
YXYBIBXEAJZXHD-DTLWVWSMSA-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