General Information of the Compound
| Compound ID |
CP0903784
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| Compound Name |
SID99368034
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| Structure |
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| Formula |
C33H32F3N2O2PS
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| Molecular Weight |
608.666
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCCCCc1ccccc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C31H32N2PS.C2HF3O2/c1-26-31(34(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33-25-15-13-23-30(33)32(26)24-14-5-8-18-27-16-6-2-7-17-27;3-2(4,5)1(6)7/h2-4,6-7,9-13,15-17,19-23,25H,5,8,14,18,24H2,1H3;(H,6,7)/q+1;/p-1
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| InChIKey |
OQXRAUGVENHHIF-UHFFFAOYSA-M
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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