General Information of the Compound
| Compound ID |
CP0542503
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| Compound Name |
1-[(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]-3-phenylurea
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| Structure |
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| Formula |
C29H33ClN4O6S
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| Molecular Weight |
601.125
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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)Nc3ccccc3)cc2C1=O
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| InChI |
InChI=1S/C29H33ClN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-29(37)31-22-7-5-4-6-8-22)11-14-26(25)40-27(19)17-33(3)41(38,39)24-12-9-21(30)10-13-24/h4-15,19-20,27,35H,16-18H2,1-3H3,(H2,31,32,37)/t19-,20-,27+/m1/s1
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| InChIKey |
WNWDQECLMWGWPQ-DVHCVUMVSA-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