General Information of the Compound
| Compound ID |
CP0540092
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| Compound Name |
((S)-2-Methyl-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 |
C31H46N4O6
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| Molecular Weight |
570.731
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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(=O)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1
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| InChIKey |
QUWLLYOWZSKAPX-WXIYOMGPSA-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