General Information of the Compound
| Compound ID |
CP0210520
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| Compound Name |
N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C32H40F2N4O6S
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| Molecular Weight |
646.757
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| Canonical SMILES |
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C32H40F2N4O6S/c1-3-5-11-45(43,44)20-28(38-31(41)26-18-35-10-9-29(26)39)32(42)37-27(15-23-13-24(33)16-25(34)14-23)30(40)19-36-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,27-28,30,36,40H,3-5,11,15,17,19-20H2,1-2H3,(H,35,39)(H,37,42)(H,38,41)/t27-,28+,30+/m0/s1
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| InChIKey |
UNVBTVJSVLCZTN-PKZQBKLLSA-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