General Information of the Compound
| Compound ID |
CP0555998
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| Compound Name |
US9062048, 70
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| Structure |
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| Formula |
C25H28F3N7O
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| Molecular Weight |
499.541
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| Canonical SMILES |
Nc1ccc(nc1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N7O/c26-25(27,28)16-3-7-22-20(9-16)24(33-14-32-22)31-11-23(36)34-18-12-35(13-18)19-5-1-15(2-6-19)21-8-4-17(29)10-30-21/h3-4,7-10,14-15,18-19H,1-2,5-6,11-13,29H2,(H,34,36)(H,31,32,33)
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| InChIKey |
FUAYIRBDAPBFDO-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