General Information of the Compound
| Compound ID |
CP0570608
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| Compound Name |
methyl (2S)-3-hydroxy-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]propanoate
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| Formula |
C24H27N5O8
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| Molecular Weight |
513.507
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| Canonical SMILES |
COC(=O)[C@H](CO)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C24H27N5O8/c1-37-24(36)17(13-30)28-19(31)11-26-23(35)21(33)18-7-4-10-29(18)20(32)12-27-22(34)15-8-9-25-16-6-3-2-5-14(15)16/h2-3,5-6,8-9,17-18,30H,4,7,10-13H2,1H3,(H,26,35)(H,27,34)(H,28,31)/t17-,18-/m0/s1
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| InChIKey |
CDSHGZWMVFUTHH-ROUUACIJSA-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