General Information of the Compound
| Compound ID |
CP0559108
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| Compound Name |
(2S)-2-[[(2R)-2-acetamido-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C25H28ClN5O4
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| Molecular Weight |
497.983
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| Canonical SMILES |
CC(=O)N[C@H](Cc1c(C)[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C25H28ClN5O4/c1-14-18(19-11-17(26)8-9-20(19)29-14)12-22(30-15(2)32)25(35)31-21(24(34)28-13-23(27)33)10-16-6-4-3-5-7-16/h3-9,11,21-22,29H,10,12-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/t21-,22+/m0/s1
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| InChIKey |
CZQKUGJKXSXNIZ-FCHUYYIVSA-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