General Information of the Compound
| Compound ID |
CP0397908
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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-(dimethylamino)butanamide
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| Structure |
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| Formula |
C28H39ClN4O6S
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| Molecular Weight |
595.162
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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)CCCN(C)C)cc2C1=O
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| InChI |
InChI=1S/C28H39ClN4O6S/c1-19-16-33(20(2)18-34)28(36)24-15-22(30-27(35)7-6-14-31(3)4)10-13-25(24)39-26(19)17-32(5)40(37,38)23-11-8-21(29)9-12-23/h8-13,15,19-20,26,34H,6-7,14,16-18H2,1-5H3,(H,30,35)/t19-,20-,26+/m1/s1
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| InChIKey |
XAGUIJCYFDBWOM-KYTVRQNUSA-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