General Information of the Compound
| Compound ID |
CP0444227
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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]oxane-4-carboxamide
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| Structure |
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| Formula |
C28H36ClN3O7S
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| Molecular Weight |
594.13
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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)C3CCOCC3)cc2C1=O
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| InChI |
InChI=1S/C28H36ClN3O7S/c1-18-15-32(19(2)17-33)28(35)24-14-22(30-27(34)20-10-12-38-13-11-20)6-9-25(24)39-26(18)16-31(3)40(36,37)23-7-4-21(29)5-8-23/h4-9,14,18-20,26,33H,10-13,15-17H2,1-3H3,(H,30,34)/t18-,19-,26+/m1/s1
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| InChIKey |
ORFKMZMTZBFHKM-UDCNLSRBSA-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