General Information of the Compound
| Compound ID |
CP0873860
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| Compound Name |
SID99495631
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| Structure |
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| Formula |
C24H32F3N3O9S
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| Molecular Weight |
595.593
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CCC3CCCCC3)CC2)cc1[N+](=O)[O-].O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H31N3O7S.C2HF3O2/c1-33(30,31)20-8-7-18(15-19(20)25(28)29)22(27)32-16-21(26)24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h7-8,15,17H,2-6,9-14,16H2,1H3;(H,6,7)
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| InChIKey |
XOZSNRAMJJLMMU-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