General Information of the Compound
| Compound ID |
CP0193348
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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-[2-(2-propyl-pyridin-4-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C40H52N4O
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| Molecular Weight |
604.883
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| Canonical SMILES |
CCCc1cc(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/C40H52N4O/c1-7-8-33-22-29(16-18-42-33)15-17-41-24-28(4)37-35-23-32(40(5,6)39(45)44-25-30-9-12-34(44)13-10-30)11-14-36(35)43-38(37)31-20-26(2)19-27(3)21-31/h11,14,16,18-23,28,30,34,41,43H,7-10,12-13,15,17,24-25H2,1-6H3/t28-,30?,34?/m1/s1
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| InChIKey |
LOLZTTIEADDGGY-LGEVGLALSA-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