General Information of the Compound
| Compound ID |
CP0397793
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| Compound Name |
(1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid [1-((S)-1-phenyl-ethylaminooxalyl)-butyl]-amide
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| Structure |
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| Formula |
C37H51N7O6
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| Molecular Weight |
689.858
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1
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| InChIKey |
WFVJLROVGLXFHD-CTERCISLSA-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