General Information of the Compound
| Compound ID |
CP0484138
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| Compound Name |
US9242943, 35
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| Structure |
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| Formula |
C20H21ClFN3O
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| Molecular Weight |
373.859
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| Canonical SMILES |
C[C@@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)ccc23)ccc1F
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| InChI |
InChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m1/s1
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| InChIKey |
IVCFPJIINVIDFL-ROPPNANJSA-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