General Information of the Compound
| Compound ID |
CP0559376
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| Compound Name |
US10336717, Compound 470
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| Structure |
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| Formula |
C25H25ClFN5O
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| Molecular Weight |
465.96
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)c(C)nn2C)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C25H25ClFN5O/c1-14-20-13-24(7-6-22(20)31(2)30-14)12-16-5-4-15(17-8-18(26)11-19(27)9-17)10-21(16)25(24)29-23(28)32(3)33-25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H2,28,29)
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| InChIKey |
FCZVBDJQRVNDRJ-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