General Information of the Compound
| Compound ID |
CP0216361
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| Compound Name |
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
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| Structure |
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| Formula |
C39H50N4O
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| Molecular Weight |
590.856
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H50N4O/c1-26-20-27(2)22-31(21-26)37-36(28(3)24-41-17-7-6-8-29-15-18-40-19-16-29)34-23-32(11-14-35(34)42-37)39(4,5)38(44)43-25-30-9-12-33(43)13-10-30/h11,14-16,18-23,28,30,33,41-42H,6-10,12-13,17,24-25H2,1-5H3/t28-,30?,33?/m1/s1
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| InChIKey |
YIYXKSVVEYNIOV-ZVAVAYMBSA-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