General Information of the Compound
| Compound ID |
CP0247720
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| Compound Name |
3-{1-[Benzyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide
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| Structure |
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| Formula |
C38H42F2N4O6S
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| Molecular Weight |
720.839
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N2CCCCS2(=O)=O)c1
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| InChI |
InChI=1S/C38H42F2N4O6S/c1-26(43-50-25-27-9-4-3-5-10-27)30-19-31(21-34(20-30)44-13-6-7-14-51(44,47)48)38(46)42-36(18-29-15-32(39)22-33(40)16-29)37(45)24-41-23-28-11-8-12-35(17-28)49-2/h3-5,8-12,15-17,19-22,36-37,41,45H,6-7,13-14,18,23-25H2,1-2H3,(H,42,46)/b43-26-/t36-,37+/m0/s1
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| InChIKey |
YBVRQIXRQLHGHQ-JKONGMBZSA-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