General Information of the Compound
| Compound ID |
CP0441245
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| Compound Name |
1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C26H35ClN4O5S
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| Molecular Weight |
551.109
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| Canonical SMILES |
CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)CN(C(C)C)C(=O)c2c1
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| InChI |
InChI=1S/C26H35ClN4O5S/c1-16(2)28-26(33)29-20-9-12-23-22(13-20)25(32)31(17(3)4)14-18(5)24(36-23)15-30(6)37(34,35)21-10-7-19(27)8-11-21/h7-13,16-18,24H,14-15H2,1-6H3,(H2,28,29,33)/t18-,24+/m1/s1
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| InChIKey |
AUKAWGLBWIYDHI-KOSHJBKYSA-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