General Information of the Compound
| Compound ID |
CP0531758
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| Compound Name |
8-[2-[[4,4-bis(4-fluorophenyl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C27H29ClF2N2O4
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| Molecular Weight |
518.988
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| Canonical SMILES |
Cl.CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C27H28F2N2O4.ClH/c1-27(2,13-22(16-3-7-18(28)8-4-16)17-5-9-19(29)10-6-17)30-14-24(33)21-11-20(32)12-23-26(21)35-15-25(34)31-23;/h3-12,22,24,30,32-33H,13-15H2,1-2H3,(H,31,34);1H
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| InChIKey |
XDERMNFTWGQAPI-UHFFFAOYSA-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