General Information of the Compound
| Compound ID |
CP0500744
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| Compound Name |
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)-2-phenylacetic acid
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| Formula |
C36H42N4O2
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| Molecular Weight |
562.758
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H42N4O2/c1-26-37-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-36(28-12-6-3-7-13-28)18-21-38(22-19-36)34(35(41)42)27-10-4-2-5-11-27/h2-15,29-31,34H,16-25H2,1H3,(H,41,42)/t29-,30+,31+,34?
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| InChIKey |
UHFCAQNLJVXUIU-WMDUMRETSA-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