General Information of the Compound
| Compound ID |
CP0471077
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| Compound Name |
methyl (2S)-6-amino-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]hexanoate
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| Formula |
C27H34N6O7
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| Molecular Weight |
554.604
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C27H34N6O7/c1-40-27(39)20(9-4-5-12-28)32-22(34)15-30-26(38)24(36)21-10-6-14-33(21)23(35)16-31-25(37)18-11-13-29-19-8-3-2-7-17(18)19/h2-3,7-8,11,13,20-21H,4-6,9-10,12,14-16,28H2,1H3,(H,30,38)(H,31,37)(H,32,34)/t20-,21-/m0/s1
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| InChIKey |
HQOLSGKARGLNFO-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