General Information of the Compound
| Compound ID |
CP0155115
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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-(2-methoxymethyl-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-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 |
COCc1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccn1
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| InChI |
InChI=1S/C39H50N4O2/c1-25-17-26(2)19-30(18-25)37-36(27(3)22-40-15-13-28-14-16-41-32(20-28)24-45-6)34-21-31(9-12-35(34)42-37)39(4,5)38(44)43-23-29-7-10-33(43)11-8-29/h9,12,14,16-21,27,29,33,40,42H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,29?,33?/m1/s1
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| InChIKey |
NTTUYAKUHPPEFP-IGYBLTPGSA-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