General Information of the Compound
| Compound ID |
CP0299531
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| Compound Name |
3-(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-methyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C38H48N4O2
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| Molecular Weight |
592.828
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| Canonical SMILES |
C[C@H](CNCCc1cccn(C)c1=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H48N4O2/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-16-15-28-8-7-17-41(6)36(28)43)32-21-30(11-14-33(32)40-35)38(4,5)37(44)42-23-27-9-12-31(42)13-10-27/h7-8,11,14,17-21,26-27,31,39-40H,9-10,12-13,15-16,22-23H2,1-6H3/t26-,27?,31?/m1/s1
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| InChIKey |
HLEXEUROULQVOE-OQERGNBTSA-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