General Information of the Compound
| Compound ID |
CP0920266
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| Compound Name |
4-Methyl-pentanoic acid {1-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide
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| Structure |
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| Formula |
C26H32N4O3
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| Molecular Weight |
448.567
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| Canonical SMILES |
CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C26H32N4O3/c1-17(2)12-13-24(31)29-23(14-18-8-4-3-5-9-18)26(33)30-22(25(27)32)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-23,28H,12-15H2,1-2H3,(H2,27,32)(H,29,31)(H,30,33)/t22-,23-/m0/s1
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| InChIKey |
KYDXAOFKIPDVIS-GOTSBHOMSA-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