General Information of the Compound
| Compound ID |
CP0522236
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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-methoxymethyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C39H50N4O3
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| Molecular Weight |
622.854
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| Canonical SMILES |
COCn1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccc1=O
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| InChI |
InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1
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| InChIKey |
WEXGSFGAVGLVMG-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