General Information of the Compound
| Compound ID |
CP0474272
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| Compound Name |
2-(benzo[d][1,3]dioxol-5-yl)-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 |
C37H42N4O4
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| Molecular Weight |
606.767
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc2OCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C37H42N4O4/c1-25-38-31-9-5-6-10-32(31)41(25)30-22-28-12-13-29(23-30)40(28)20-17-37(27-7-3-2-4-8-27)15-18-39(19-16-37)35(36(42)43)26-11-14-33-34(21-26)45-24-44-33/h2-11,14,21,28-30,35H,12-13,15-20,22-24H2,1H3,(H,42,43)/t28-,29+,30+,35?
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| InChIKey |
QOMFGNPECFGGMF-OLZRBHHCSA-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