General Information of the Compound
| Compound ID |
CP0575658
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| Compound Name |
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C23H26N2O4/c1-29-22(27)20(12-14-8-10-17(26)11-9-14)24-23(28)25-21-18-6-2-4-15(18)13-16-5-3-7-19(16)21/h8-11,13,20,26H,2-7,12H2,1H3,(H2,24,25,28)/t20-/m1/s1
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| InChIKey |
URCDQFJKZDAFED-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