General Information of the Compound
| Compound ID |
CP0889239
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| Compound Name |
SID131460966
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| Structure |
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| Formula |
C24H22F2N2O3S
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| Molecular Weight |
456.514
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| Canonical SMILES |
O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@@H]2CO
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| InChI |
InChI=1S/C24H22F2N2O3S/c25-17-5-3-4-15(12-17)16-8-9-21-19(13-16)24-18(22(14-29)27-21)10-11-28(24)32(30,31)23-7-2-1-6-20(23)26/h1-9,12-13,18,22,24,27,29H,10-11,14H2/t18-,22+,24-/m0/s1
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| InChIKey |
IUWZBQSANHFIMZ-ANJVHQHFSA-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