General Information of the Compound
| Compound ID |
CP0481090
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| Compound Name |
US9340500, I-048
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| Structure |
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| Formula |
C31H28F3N3O4
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| Molecular Weight |
563.576
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H28F3N3O4/c1-20-25(29(38)35-24-11-6-10-23(17-24)31(32,33)34)18-26(21-8-4-3-5-9-21)37(20)15-7-14-36(2)30(39)22-12-13-27-28(16-22)41-19-40-27/h3-6,8-13,16-18H,7,14-15,19H2,1-2H3,(H,35,38)
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| InChIKey |
FFRZGGAANDQNHM-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