General Information of the Compound
| Compound ID |
CP0549446
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| Compound Name |
1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
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| Structure |
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| Formula |
C28H34ClN5O7S
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| Molecular Weight |
620.128
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O
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| InChI |
InChI=1S/C28H34ClN5O7S/c1-16-13-34(17(2)15-35)27(36)23-12-21(30-28(37)31-26-18(3)32-41-19(26)4)8-11-24(23)40-25(16)14-33(5)42(38,39)22-9-6-20(29)7-10-22/h6-12,16-17,25,35H,13-15H2,1-5H3,(H2,30,31,37)/t16-,17-,25+/m1/s1
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| InChIKey |
LTEASSVNHIKWEG-BFIDETRKSA-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