General Information of the Compound
| Compound ID |
CP0811898
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| Compound Name |
SID24840307
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| Structure |
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| Formula |
C32H40N2O6
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| Molecular Weight |
548.68
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| Canonical SMILES |
CC(C)(c1ccccc1)c1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C30H38N2O2.C2H2O4/c1-30(2,25-11-7-4-8-12-25)26-13-15-29(16-14-26)34-23-28(33)21-31-27-17-19-32(20-18-27)22-24-9-5-3-6-10-24;3-1(4)2(5)6/h3-16,27-28,31,33H,17-23H2,1-2H3;(H,3,4)(H,5,6)
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| InChIKey |
YVURUZARVDMIDT-UHFFFAOYSA-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: PT06033, Microphthalmia-associated transcription factor