General Information of the Compound
| Compound ID |
CP0914176
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| Compound Name |
SID121282560
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| Structure |
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| Formula |
C30H34F3N3O5S
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| Molecular Weight |
605.679
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| Canonical SMILES |
Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1
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| InChI |
InChI=1S/C30H34F3N3O5S/c1-19-5-7-22(8-6-19)23-9-14-28-26(15-23)41-27(20(2)16-36(21(3)18-37)42(28,39)40)17-35(4)29(38)34-25-12-10-24(11-13-25)30(31,32)33/h5-15,20-21,27,37H,16-18H2,1-4H3,(H,34,38)/t20-,21-,27-/m1/s1
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| InChIKey |
IIFWPLPYOKXIHM-LGVUCKNBSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3