General Information of the Compound
| Compound ID |
CP0487041
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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-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C30H35ClN4O7S
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| Molecular Weight |
631.151
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)S(=O)(=O)c4ccc(Cl)cc4)[C@H](C)CN([C@H](C)CO)C(=O)c3c2)cc1
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| InChI |
InChI=1S/C30H35ClN4O7S/c1-19-16-35(20(2)18-36)29(37)26-15-23(33-30(38)32-22-7-10-24(41-4)11-8-22)9-14-27(26)42-28(19)17-34(3)43(39,40)25-12-5-21(31)6-13-25/h5-15,19-20,28,36H,16-18H2,1-4H3,(H2,32,33,38)/t19-,20-,28+/m1/s1
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| InChIKey |
UELKBFQYTLCLDN-HIRWGAFWSA-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