General Information of the Compound
| Compound ID |
CP0509228
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| Compound Name |
2-[(R)-1-[(S)-2-(Azepane-1-sulfonylamino)-4-methyl-pentanoylamino]-2-(1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H37N5O6S
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| Molecular Weight |
559.689
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| Canonical SMILES |
CC(C)C[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C27H37N5O6S/c1-17(2)14-22(31-39(36,37)32-12-8-4-5-9-13-32)25(33)29-23(26-30-24(27(34)35)18(3)38-26)15-19-16-28-21-11-7-6-10-20(19)21/h6-7,10-11,16-17,22-23,28,31H,4-5,8-9,12-15H2,1-3H3,(H,29,33)(H,34,35)/t22-,23+/m0/s1
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| InChIKey |
CYQSEDKCFQASLU-XZOQPEGZSA-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