General Information of the Compound
| Compound ID |
CP0906937
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| Compound Name |
SID85201451
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| Structure |
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| Formula |
C31H35F3N4O7S
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| Molecular Weight |
664.703
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C31H35F3N4O7S/c1-19-16-38(20(2)18-39)29(40)26-15-23(36-30(41)35-22-7-5-21(6-8-22)31(32,33)34)9-14-27(26)45-28(19)17-37(3)46(42,43)25-12-10-24(44-4)11-13-25/h5-15,19-20,28,39H,16-18H2,1-4H3,(H2,35,36,41)/t19-,20+,28+/m0/s1
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| InChIKey |
CTKRXGMJCCRCIP-TWUWCHPWSA-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: PT06124, Paired box protein Pax-8