General Information of the Compound
| Compound ID |
CP0422703
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| Compound Name |
4-O-benzyl 1-O-methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]butanedioate
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| Formula |
C32H33N5O9
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| Molecular Weight |
631.642
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| Canonical SMILES |
COC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C32H33N5O9/c1-45-32(44)24(16-28(40)46-19-20-8-3-2-4-9-20)36-26(38)17-34-31(43)29(41)25-12-7-15-37(25)27(39)18-35-30(42)22-13-14-33-23-11-6-5-10-21(22)23/h2-6,8-11,13-14,24-25H,7,12,15-19H2,1H3,(H,34,43)(H,35,42)(H,36,38)/t24-,25-/m0/s1
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| InChIKey |
QTCVDGTWHFXHPT-DQEYMECFSA-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