General Information of the Compound
| Compound ID |
CP0543218
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| Compound Name |
benzyl N-[(2S)-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]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C29H40N4O6
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| Molecular Weight |
540.661
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| Canonical SMILES |
CC(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/C29H40N4O6/c1-28(2,3)23(32-27(38)39-16-17-9-7-6-8-10-17)26(37)33-14-20-21(29(20,4)5)22(33)25(36)31-19(15-34)13-18-11-12-30-24(18)35/h6-10,15,18-23H,11-14,16H2,1-5H3,(H,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-,23+/m0/s1
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| InChIKey |
BDHVPCDBFSBZMM-RCTKEMKKSA-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