General Information of the Compound
| Compound ID |
CP0552718
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| Compound Name |
methyl (2S)-4-methyl-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 |
C27H33N5O7
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| Molecular Weight |
539.589
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| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C27H33N5O7/c1-16(2)13-20(27(38)39-3)31-22(33)14-29-26(37)24(35)21-9-6-12-32(21)23(34)15-30-25(36)18-10-11-28-19-8-5-4-7-17(18)19/h4-5,7-8,10-11,16,20-21H,6,9,12-15H2,1-3H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21-/m0/s1
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| InChIKey |
CGGZLVKZEXMSBK-SFTDATJTSA-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