General Information of the Compound
| Compound ID |
CP0428525
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| Compound Name |
((S)-2,2-Dimethyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-hexahydro-cyclopenta[c]pyrrole-2-carbonyl}-propyl)-carbamic acid isopropyl ester
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| Structure |
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| Formula |
C32H48N4O6
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| Molecular Weight |
584.758
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C32H48N4O6/c1-8-13-24(26(37)29(39)33-20(4)21-14-10-9-11-15-21)34-28(38)25-23-17-12-16-22(23)18-36(25)30(40)27(32(5,6)7)35-31(41)42-19(2)3/h9-11,14-15,19-20,22-25,27H,8,12-13,16-18H2,1-7H3,(H,33,39)(H,34,38)(H,35,41)/t20-,22-,23-,24?,25-,27+/m0/s1
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| InChIKey |
HEHQEUAXWHUFLC-UMSHAWLYSA-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