General Information of the Compound
| Compound ID |
CP0577361
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| Compound Name |
US9333195, 53
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| Structure |
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| Formula |
C26H29FNO4S2+
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| Molecular Weight |
502.653
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C26H29FNO4S2/c27-20-6-8-21(9-7-20)31-15-3-12-28-13-10-19(11-14-28)22(18-28)32-25(29)26(30,23-4-1-16-33-23)24-5-2-17-34-24/h1-2,4-9,16-17,19,22,30H,3,10-15,18H2/q+1/t19?,22-,28?/m0/s1
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| InChIKey |
SQYXFUZHRVSBFP-JKLGZZSBSA-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