General Information of the Compound
| Compound ID |
CP0451211
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| Compound Name |
methyl 3-methyl-2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]butanoate
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| Formula |
C24H28N4O6
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| Molecular Weight |
468.51
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| Canonical SMILES |
COC(=O)C(NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)C(C)C
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| InChI |
InChI=1S/C24H28N4O6/c1-14(2)20(24(33)34-3)27-23(32)21(30)18-9-6-12-28(18)19(29)13-26-22(31)16-10-11-25-17-8-5-4-7-15(16)17/h4-5,7-8,10-11,14,18,20H,6,9,12-13H2,1-3H3,(H,26,31)(H,27,32)/t18-,20?/m0/s1
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| InChIKey |
JKBIAFYUFQSZNI-LROBGIAVSA-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