General Information of the Compound
| Compound ID |
CP0890214
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| Compound Name |
SID99357045
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| Structure |
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| Formula |
C34H33F6N5O6
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| Molecular Weight |
721.655
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C32H32F3N5O4.C2HF3O2/c1-3-39-10-12-40(13-11-39)19-20-8-9-22(17-27(20)32(33,34)35)37-30(42)21-14-23(16-24(15-21)44-2)38-31(43)29(41)26-18-36-28-7-5-4-6-25(26)28;3-2(4,5)1(6)7/h4-9,14-18,36H,3,10-13,19H2,1-2H3,(H,37,42)(H,38,43);(H,6,7)
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| InChIKey |
LHHNLZWHHASTAJ-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: PT06124, Paired box protein Pax-8