General Information of the Compound
| Compound ID |
CP0736690
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| Compound Name |
SID85304815
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| Structure |
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| Formula |
C24H22FN3O3S
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| Molecular Weight |
451.523
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| Canonical SMILES |
CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1
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| InChI |
InChI=1S/C24H22FN3O3S/c1-2-30-20-11-9-19(10-12-20)27-23(29)16-32-24-26-14-22(17-5-7-18(25)8-6-17)28(24)15-21-4-3-13-31-21/h3-14H,2,15-16H2,1H3,(H,27,29)
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| InChIKey |
OUONESDXKTVMKQ-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3