General Information of the Compound
| Compound ID |
CP0505807
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| Compound Name |
(3aR,5S)-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-phenylaminooxalyl-butyl)-amide
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| Structure |
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| Formula |
C35H45N7O7
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| Molecular Weight |
675.787
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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)Nc1ccccc1
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| InChI |
InChI=1S/C35H45N7O7/c1-6-10-24(30(44)34(48)38-21-11-8-7-9-12-21)39-33(47)29-22-13-14-26(43)23(22)18-42(29)35(49)28(20(4)5)41-32(46)27(19(2)3)40-31(45)25-17-36-15-16-37-25/h7-9,11-12,15-17,19-20,22-24,27-29H,6,10,13-14,18H2,1-5H3,(H,38,48)(H,39,47)(H,40,45)(H,41,46)/t22-,23-,24?,27-,28-,29?/m0/s1
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| InChIKey |
WZPZYFJBLRHVOA-LZTKJBBBSA-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