General Information of the Compound
| Compound ID |
CP0552767
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| Compound Name |
methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-4-phenylbutanoate
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| Formula |
C24H28N2O3
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| Molecular Weight |
392.499
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| Canonical SMILES |
COC(=O)C(CCc1ccccc1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C24H28N2O3/c1-29-23(27)21(14-13-16-7-3-2-4-8-16)25-24(28)26-22-19-11-5-9-17(19)15-18-10-6-12-20(18)22/h2-4,7-8,15,21H,5-6,9-14H2,1H3,(H2,25,26,28)
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| InChIKey |
IXBBGBOYEKTLRF-UHFFFAOYSA-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