General Information of the Compound
| Compound ID |
CP0494240
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| Compound Name |
methyl (2S)-5-(benzylamino)-5-oxo-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]pentanoate
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| Formula |
C33H36N6O8
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| Molecular Weight |
644.685
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| Canonical SMILES |
COC(=O)[C@H](CCC(=O)NCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C33H36N6O8/c1-47-33(46)25(13-14-27(40)35-18-21-8-3-2-4-9-21)38-28(41)19-36-32(45)30(43)26-12-7-17-39(26)29(42)20-37-31(44)23-15-16-34-24-11-6-5-10-22(23)24/h2-6,8-11,15-16,25-26H,7,12-14,17-20H2,1H3,(H,35,40)(H,36,45)(H,37,44)(H,38,41)/t25-,26-/m0/s1
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| InChIKey |
IKXXYBVNYOSWIF-UIOOFZCWSA-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