General Information of the Compound
| Compound ID |
CP0384042
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| Compound Name |
US9273043, A158(a)
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| Structure |
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| Formula |
C20H20F3N5O3S
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| Molecular Weight |
467.473
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)Nc1nc2cc(F)c(F)cc2s1)c1ncc(cc1F)[C@H](O)CO
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| InChI |
InChI=1S/C20H20F3N5O3S/c1-10-8-27(18-14(23)4-11(7-24-18)16(30)9-29)2-3-28(10)20(31)26-19-25-15-5-12(21)13(22)6-17(15)32-19/h4-7,10,16,29-30H,2-3,8-9H2,1H3,(H,25,26,31)/t10-,16+/m0/s1
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| InChIKey |
PLPNXVMXQNODJV-MGPLVRAMSA-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