General Information of the Compound
| Compound ID |
CP0251825
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| Compound Name |
(E)-3-[4-[(1R,3R)-2-(2-hydroxyethyl)-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 |
C23H24N2O3
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| Molecular Weight |
376.456
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C23H24N2O3/c1-15-14-19-18-4-2-3-5-20(18)24-22(19)23(25(15)12-13-26)17-9-6-16(7-10-17)8-11-21(27)28/h2-11,15,23-24,26H,12-14H2,1H3,(H,27,28)/b11-8+/t15-,23-/m1/s1
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| InChIKey |
GPAALEKLLYZZEX-ACNFIFLKSA-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