General Information of the Compound
| Compound ID |
CP0513159
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| Compound Name |
(R)-2-(7-(4-(4-fluorophenyl)-N-methyltetrahydro-2H-pyran-4-carboxamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C27H29FN2O4
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| Molecular Weight |
464.537
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H29FN2O4/c1-29(26(33)27(12-14-34-15-13-27)18-6-8-19(28)9-7-18)20-10-11-24-22(16-25(31)32)21-4-2-3-5-23(21)30(24)17-20/h2-9,20H,10-17H2,1H3,(H,31,32)/t20-/m1/s1
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| InChIKey |
NJERBSIVWAFMTQ-HXUWFJFHSA-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