General Information of the Compound
| Compound ID |
CP0450002
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| Compound Name |
US9273043, A155(b)
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| Structure |
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| Formula |
C20H21F2N5O3S
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| Molecular Weight |
449.483
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(cc1F)[C@H](O)CO)C(=O)Nc1nc2cc(F)ccc2s1
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| InChI |
InChI=1S/C20H21F2N5O3S/c1-11-9-26(20(30)25-19-24-15-7-13(21)2-3-17(15)31-19)4-5-27(11)18-14(22)6-12(8-23-18)16(29)10-28/h2-3,6-8,11,16,28-29H,4-5,9-10H2,1H3,(H,24,25,30)/t11-,16-/m1/s1
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| InChIKey |
MJOSRYLODIMADI-BDJLRTHQSA-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