General Information of the Compound
| Compound ID |
CP0858467
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| Compound Name |
SID131461831
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| Structure |
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| Formula |
C25H25FN2O3S
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| Molecular Weight |
452.551
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21
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| InChI |
InChI=1S/C25H25FN2O3S/c1-16-5-2-3-8-24(16)32(30,31)28-12-11-20-23(15-29)27-22-10-9-18(14-21(22)25(20)28)17-6-4-7-19(26)13-17/h2-10,13-14,20,23,25,27,29H,11-12,15H2,1H3/t20-,23+,25-/m1/s1
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| InChIKey |
VYJJWHFCPQRTHF-JHMXWDHMSA-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