General Information of the Compound
| Compound ID |
CP0549445
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| Compound Name |
1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C27H37ClN4O6S
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| Molecular Weight |
581.135
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| Canonical SMILES |
COC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)NC(C)C)cc2C1=O
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| InChI |
InChI=1S/C27H37ClN4O6S/c1-17(2)29-27(34)30-21-9-12-24-23(13-21)26(33)32(19(4)16-37-6)14-18(3)25(38-24)15-31(5)39(35,36)22-10-7-20(28)8-11-22/h7-13,17-19,25H,14-16H2,1-6H3,(H2,29,30,34)/t18-,19-,25+/m1/s1
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| InChIKey |
BICAMHXWLCBVFF-RRQZXNHTSA-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