General Information of the Compound
| Compound ID |
CP0562976
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| Compound Name |
benzyl N-[(2S,3R)-1-[(1R,2S,5S)-6,6-dimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C31H44N4O7
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| Molecular Weight |
584.714
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C2(C)C
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| InChI |
InChI=1S/C31H44N4O7/c1-18(42-30(2,3)4)24(34-29(40)41-17-19-10-8-7-9-11-19)28(39)35-15-22-23(31(22,5)6)25(35)27(38)33-21(16-36)14-20-12-13-32-26(20)37/h7-11,16,18,20-25H,12-15,17H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)/t18-,20+,21+,22+,23+,24+,25+/m1/s1
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| InChIKey |
PJYKABYZZJOKNL-AIVCMVMSSA-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