General Information of the Compound
| Compound ID |
CP0543487
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| Compound Name |
benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pent-4-en-2-yl]amino]-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C26H36N4O6
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| Molecular Weight |
500.596
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| Canonical SMILES |
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)=C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
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| InChI |
InChI=1S/C26H36N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,17,19-22H,1,10-13,15H2,2-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
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| InChIKey |
WDHMWDRJYQKNDV-CMOCDZPBSA-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