General Information of the Compound
| Compound ID |
CP0897524
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| Compound Name |
SID99495630
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| Structure |
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| Formula |
C20H26F3N3O9S
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| Molecular Weight |
541.501
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| Canonical SMILES |
CC(C)CN1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H25N3O7S.C2HF3O2/c1-13(2)11-19-6-8-20(9-7-19)17(22)12-28-18(23)14-4-5-16(29(3,26)27)15(10-14)21(24)25;3-2(4,5)1(6)7/h4-5,10,13H,6-9,11-12H2,1-3H3;(H,6,7)
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| InChIKey |
GURFQDMDRFUPME-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