General Information of the Compound
| Compound ID |
CP0510412
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| Compound Name |
N-[(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]-4,4,4-trifluorobutanamide
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| Structure |
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| Formula |
C26H31ClF3N3O6S
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| Molecular Weight |
606.063
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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)CCC(F)(F)F)cc2C1=O
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| InChI |
InChI=1S/C26H31ClF3N3O6S/c1-16-13-33(17(2)15-34)25(36)21-12-19(31-24(35)10-11-26(28,29)30)6-9-22(21)39-23(16)14-32(3)40(37,38)20-7-4-18(27)5-8-20/h4-9,12,16-17,23,34H,10-11,13-15H2,1-3H3,(H,31,35)/t16-,17-,23+/m1/s1
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| InChIKey |
LXLGYJAWHHSHNC-QZMQVMSPSA-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