General Information of the Compound
| Compound ID |
CP0371321
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| Compound Name |
5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-1,3-dimethyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C39H50N4O2
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| Molecular Weight |
606.855
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| Canonical SMILES |
C[C@H](CNCCc1cc(C)c(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H50N4O2/c1-24-16-25(2)18-30(17-24)36-35(27(4)21-40-15-14-29-19-26(3)37(44)42(7)22-29)33-20-31(10-13-34(33)41-36)39(5,6)38(45)43-23-28-8-11-32(43)12-9-28/h10,13,16-20,22,27-28,32,40-41H,8-9,11-12,14-15,21,23H2,1-7H3/t27-,28?,32?/m1/s1
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| InChIKey |
PAVQIUDVWQYFLR-NGFHQYDQSA-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