General Information of the Compound
| Compound ID |
CP0219557
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| Compound Name |
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(6-methoxy-pyridin-3-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-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 |
COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1
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| InChI |
InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1
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| InChIKey |
GIQVPSQYEHMLRH-WPCLDFDBSA-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