General Information of the Compound
| Compound ID |
CP0490099
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| Compound Name |
US9340500, I-067
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| Structure |
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| Formula |
C33H29F3N4O3
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| Molecular Weight |
586.614
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)C(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H29F3N4O3/c1-21-26(31(42)38-24-13-8-12-23(18-24)33(34,35)36)19-29(22-10-4-3-5-11-22)40(21)17-9-16-39(2)32(43)30(41)27-20-37-28-15-7-6-14-25(27)28/h3-8,10-15,18-20,37H,9,16-17H2,1-2H3,(H,38,42)
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| InChIKey |
HQYRDUQYYCNISA-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