General Information of the Compound
| Compound ID |
CP0881128
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| Compound Name |
SID85200562
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| Structure |
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| Formula |
C36H41FN2O5
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| Molecular Weight |
600.731
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| Canonical SMILES |
O=C(C[C@@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1
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| InChI |
InChI=1S/C36H41FN2O5/c37-31-18-16-28(17-19-31)20-30-15-9-3-8-14-29(23-34(41)38-32(24-40)21-26-10-4-1-5-11-26)35(42)39-33(25-44-36(30)43)22-27-12-6-2-7-13-27/h1-8,10-13,16-19,29-30,32-33,40H,9,14-15,20-25H2,(H,38,41)(H,39,42)/b8-3+/t29-,30+,32-,33+/m0/s1
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| InChIKey |
RKSMAKOUSPJGSV-PUJBUJBMSA-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: PT06124, Paired box protein Pax-8