General Information of the Compound
| Compound ID |
CP0966600
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| Compound Name |
SID134962114
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| Structure |
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| Formula |
C33H37FN4O4
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| Molecular Weight |
572.681
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
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| InChI |
InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29+/m0/s1
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| InChIKey |
HIWUQZOVKTUVHW-DKGMKSHISA-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