General Information of the Compound
| Compound ID |
CP0474270
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| Compound Name |
2-(4-methoxyphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid
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| Formula |
C37H44N4O3
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| Molecular Weight |
592.784
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| Canonical SMILES |
COc1ccc(cc1)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C37H44N4O3/c1-26-38-33-10-6-7-11-34(33)41(26)31-24-29-14-15-30(25-31)40(29)23-20-37(28-8-4-3-5-9-28)18-21-39(22-19-37)35(36(42)43)27-12-16-32(44-2)17-13-27/h3-13,16-17,29-31,35H,14-15,18-25H2,1-2H3,(H,42,43)/t29-,30+,31+,35?
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| InChIKey |
PQQXVQHDJSFGPZ-XHMUIODYSA-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