General Information of the Compound
| Compound ID |
CP0542502
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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-10-yl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C26H35ClN4O6S
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| Molecular Weight |
567.108
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H](C)CN([C@H](C)CO)C2=O
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| InChI |
InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23+/m1/s1
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| InChIKey |
ICKGACFEFDAKAN-PNCHPQGNSA-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