General Information of the Compound
| Compound ID |
CP0461044
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| Compound Name |
(5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-4-oxo-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide
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| Structure |
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| Formula |
C32H45N7O7
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| Molecular Weight |
639.754
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| Canonical SMILES |
CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
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| InChI |
InChI=1S/C32H45N7O7/c1-6-7-21(27(41)31(45)35-18-8-9-18)36-30(44)26-19-10-11-23(40)20(19)15-39(26)32(46)25(17(4)5)38-29(43)24(16(2)3)37-28(42)22-14-33-12-13-34-22/h12-14,16-21,24-26H,6-11,15H2,1-5H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)/t19-,20-,21?,24-,25-,26?/m0/s1
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| InChIKey |
DYAKPYOYBFHZSG-RFWMPLBASA-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