General Information of the Compound
| Compound ID |
CP0864853
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| Compound Name |
SID26732337
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| Structure |
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| Formula |
C31H31FN2O3
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| Molecular Weight |
498.598
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| Canonical SMILES |
COc1ccc(C2/C=C\CN(C(=O)C3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C31H31FN2O3/c1-37-27-17-13-24(14-18-27)28-8-5-19-33(30(35)25-11-12-25)29(20-22-6-3-2-4-7-22)31(36)34(28)21-23-9-15-26(32)16-10-23/h2-10,13-18,25,28-29H,11-12,19-21H2,1H3/b8-5-/t28?,29-/m1/s1
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| InChIKey |
FGEYVMWKHSUPNE-YPQPGHPKSA-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