General Information of the Compound
| Compound ID |
CP0481088
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| Compound Name |
US9340500, I-041
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| Structure |
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| Formula |
C28H32F3N3O3
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| Molecular Weight |
515.576
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| Canonical SMILES |
COC(=O)CCCN(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H32F3N3O3/c1-20-24(27(36)32-23-13-7-12-22(18-23)28(29,30)31)19-25(21-10-5-4-6-11-21)34(20)17-9-16-33(2)15-8-14-26(35)37-3/h4-7,10-13,18-19H,8-9,14-17H2,1-3H3,(H,32,36)
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| InChIKey |
IDXVLEPITTVCFU-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