General Information of the Compound
| Compound ID |
CP0885256
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| Compound Name |
SID131461118
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| Structure |
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| Formula |
C24H27FN2O3S
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| Molecular Weight |
442.556
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| Canonical SMILES |
O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21
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| InChI |
InChI=1S/C24H27FN2O3S/c25-20-8-4-5-9-23(20)31(29,30)27-13-12-18-22(15-28)26-21-11-10-17(14-19(21)24(18)27)16-6-2-1-3-7-16/h4-6,8-11,14,18,22,24,26,28H,1-3,7,12-13,15H2/t18-,22-,24-/m1/s1
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| InChIKey |
OISKMIDGBWGEMM-IHLLOCCUSA-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