General Information of the Compound
| Compound ID |
CP0421881
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| Compound Name |
(2S)-1-[[(1S,2S)-2-(8-azabicyclo[3.2.1]octan-8-yl)-1,2-dipyridin-2-ylethyl]-propylamino]propan-2-ol
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| Structure |
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| Formula |
C25H36N4O
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| Molecular Weight |
408.59
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| Canonical SMILES |
CCCN(C[C@H](C)O)[C@@H]([C@H](N1C2CCC1CCC2)c1ccccn1)c1ccccn1
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| InChI |
InChI=1S/C25H36N4O/c1-3-17-28(18-19(2)30)24(22-11-4-6-15-26-22)25(23-12-5-7-16-27-23)29-20-9-8-10-21(29)14-13-20/h4-7,11-12,15-16,19-21,24-25,30H,3,8-10,13-14,17-18H2,1-2H3/t19-,20?,21?,24+,25+/m0/s1
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| InChIKey |
BEUSBOBPBOUZRP-CSGJRFERSA-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