General Information of the Compound
| Compound ID |
CP0441811
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| Compound Name |
2-[(R)-1-{(S)-2-[(3,4-Dihydro-2H-quinoline-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C32H37N5O5
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| Molecular Weight |
571.678
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCc2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C32H37N5O5/c1-19(2)16-24(34-32(41)37-15-9-11-21-10-5-7-13-26(21)37)29(38)33-25(30-35-28(31(39)40)20(3)42-30)17-22-18-36(4)27-14-8-6-12-23(22)27/h5-8,10,12-14,18-19,24-25H,9,11,15-17H2,1-4H3,(H,33,38)(H,34,41)(H,39,40)/t24-,25+/m0/s1
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| InChIKey |
XKICGEVCBUOTCT-LOSJGSFVSA-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