General Information of the Compound
| Compound ID |
CP0852872
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| Compound Name |
SID24841667
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| Structure |
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| Formula |
C25H28F3NO4
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| Molecular Weight |
463.496
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| Canonical SMILES |
CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO
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| InChI |
InChI=1S/C25H28F3NO4/c1-2-32-24-20(9-6-14-30)21(18-10-12-19(13-11-18)25(26,27)28)15-22(33-24)23(31)29-16-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,20-21,24,30H,2,6,9,14,16H2,1H3,(H,29,31)/t20-,21-,24-/m1/s1
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| InChIKey |
CQMISPIOKWYRMZ-PQNGQFLHSA-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