General Information of the Compound
| Compound ID |
CP0884985
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| Compound Name |
SID56316424
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| Structure |
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| Formula |
C24H25ClF3N5O2S
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| Molecular Weight |
540.011
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| Canonical SMILES |
Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c2c1C
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| InChI |
InChI=1S/C24H25ClF3N5O2S/c1-13-14(2)36-22-20(13)21(29-12-30-22)33-8-6-15(7-9-33)23(35)32(3)11-19(34)31-16-4-5-18(25)17(10-16)24(26,27)28/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,31,34)
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| InChIKey |
IQXVQFHUBXLAFE-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3