General Information of the Compound
| Compound ID |
CP0409093
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| Compound Name |
(1S,3aR,6aS)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-phenylaminooxalyl-butyl)-amide
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| Structure |
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| Formula |
C36H49N7O6
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| Molecular Weight |
675.831
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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)C(=O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C36H49N7O6/c1-7-12-25(29(44)34(48)39-23-14-9-8-10-15-23)40-33(47)28-24-16-11-13-22(24)20-43(28)35(49)30(36(4,5)6)42-32(46)27(21(2)3)41-31(45)26-19-37-17-18-38-26/h8-10,14-15,17-19,21-22,24-25,27-28,30H,7,11-13,16,20H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25?,27-,28-,30+/m0/s1
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| InChIKey |
OVUWFJGETKMBNE-IGSHNTALSA-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