General Information of the Compound
| Compound ID |
CP0282494
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| Compound Name |
(3S)-3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[7-bromo-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C30H40BrN5O10
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| Molecular Weight |
710.579
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| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Br)cc2C1C(=O)N[C@H]1CC(=O)OC1O
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| InChI |
InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-6-7-17(31)10-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1
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| InChIKey |
CYPFOGHELPCGPU-ZOGZNBLASA-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