General Information of the Compound
| Compound ID |
CP0554911
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| Compound Name |
methyl (2R)-3-(3-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)propanoate
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| Structure |
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| Formula |
C24H25N3O3
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| Molecular Weight |
403.482
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| Canonical SMILES |
COC(=O)[C@@H](Cc1cccc(c1)C#N)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C24H25N3O3/c1-30-23(28)21(12-15-5-2-6-16(11-15)14-25)26-24(29)27-22-19-9-3-7-17(19)13-18-8-4-10-20(18)22/h2,5-6,11,13,21H,3-4,7-10,12H2,1H3,(H2,26,27,29)/t21-/m1/s1
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| InChIKey |
AAYRKHBSYCOLMX-OAQYLSRUSA-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