General Information of the Compound
| Compound ID |
CP0827100
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| Compound Name |
SID24833101
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
C[C@@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C26H30N4O4/c1-17(19-13-9-6-10-14-19)29-23(31)21-22(28-16-27-21)24(32)30-20(25(33)34-26(2,3)4)15-18-11-7-5-8-12-18/h5-14,16-17,20H,15H2,1-4H3,(H,27,28)(H,29,31)(H,30,32)/t17-,20+/m1/s1
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| InChIKey |
GFNZDCXMBGSEPG-XLIONFOSSA-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