General Information of the Compound
| Compound ID |
CP0487040
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| Compound Name |
4-chloro-N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H32ClN3O5S
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| Molecular Weight |
510.056
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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(cc2C1=O)N(C)C
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| InChI |
InChI=1S/C24H32ClN3O5S/c1-16-13-28(17(2)15-29)24(30)21-12-19(26(3)4)8-11-22(21)33-23(16)14-27(5)34(31,32)20-9-6-18(25)7-10-20/h6-12,16-17,23,29H,13-15H2,1-5H3/t16-,17-,23+/m1/s1
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| InChIKey |
PRBDGRLJOYRUCR-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