General Information of the Compound
| Compound ID |
CP0862126
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| Compound Name |
SID131461588
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| Structure |
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| Formula |
C25H25FN2O4S
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| Molecular Weight |
468.55
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| Canonical SMILES |
COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)c1
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| InChI |
InChI=1S/C25H25FN2O4S/c1-32-18-6-4-5-16(13-18)17-9-10-22-20(14-17)25-19(23(15-29)27-22)11-12-28(25)33(30,31)24-8-3-2-7-21(24)26/h2-10,13-14,19,23,25,27,29H,11-12,15H2,1H3/t19-,23-,25-/m1/s1
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| InChIKey |
MBZMHWVETCROEO-RZPHLTDDSA-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