General Information of the Compound
| Compound ID |
CP0487975
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| Compound Name |
(2S)-1-[[(1S,2S)-2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
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| Structure |
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| Formula |
C26H38N4O3
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| Molecular Weight |
454.615
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| Canonical SMILES |
COCCN(C[C@H](C)O)[C@@H]([C@H](N1C2CCC1CC(C2)OC)c1ccccn1)c1ccccn1
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| InChI |
InChI=1S/C26H38N4O3/c1-19(31)18-29(14-15-32-2)25(23-8-4-6-12-27-23)26(24-9-5-7-13-28-24)30-20-10-11-21(30)17-22(16-20)33-3/h4-9,12-13,19-22,25-26,31H,10-11,14-18H2,1-3H3/t19-,20?,21?,22?,25+,26+/m0/s1
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| InChIKey |
MYSLBZIWENVPOT-KCEZSJFESA-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