General Information of the Compound
| Compound ID |
CP0413135
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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-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C28H31ClFN3O7S2
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| Molecular Weight |
640.155
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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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O
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| InChI |
InChI=1S/C28H31ClFN3O7S2/c1-18-15-33(19(2)17-34)28(35)25-14-22(31-41(36,37)23-11-6-21(30)7-12-23)8-13-26(25)40-27(18)16-32(3)42(38,39)24-9-4-20(29)5-10-24/h4-14,18-19,27,31,34H,15-17H2,1-3H3/t18-,19-,27+/m1/s1
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| InChIKey |
HNJPENFTPWWMIT-KFDHSVMUSA-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