General Information of the Compound
| Compound ID |
CP0398593
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| Compound Name |
2-(2,6-dimethylphenyl)-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 |
C38H46N4O2
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| Molecular Weight |
590.812
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1c(C)cccc1C)c1ccccc1
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| InChI |
InChI=1S/C38H46N4O2/c1-26-10-9-11-27(2)35(26)36(37(43)44)40-21-18-38(19-22-40,29-12-5-4-6-13-29)20-23-41-30-16-17-31(41)25-32(24-30)42-28(3)39-33-14-7-8-15-34(33)42/h4-15,30-32,36H,16-25H2,1-3H3,(H,43,44)/t30-,31+,32+,36?
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| InChIKey |
PJUZFIMJBIWYQW-QETJBZMDSA-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