General Information of the Compound
| Compound ID |
CP0535537
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| Compound Name |
US9278960, 3-44
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| Structure |
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| Formula |
C24H20F4N4O2
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| Molecular Weight |
472.442
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| Canonical SMILES |
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)/t23-/m0/s1
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| InChIKey |
NVHOOOQFDVIAGG-QHCPKHFHSA-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