General Information of the Compound
| Compound ID |
CP0109093
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| Compound Name |
(E)-3-[4-[(1R,3R)-2-[(2R)-3-hydroxy-2-methylpropyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H28N2O3
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| Molecular Weight |
404.51
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| Canonical SMILES |
C[C@@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C25H28N2O3/c1-16(15-28)14-27-17(2)13-21-20-5-3-4-6-22(20)26-24(21)25(27)19-10-7-18(8-11-19)9-12-23(29)30/h3-12,16-17,25-26,28H,13-15H2,1-2H3,(H,29,30)/b12-9+/t16-,17-,25-/m1/s1
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| InChIKey |
RMZIARSKKBFMKY-IEGMAYJBSA-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