General Information of the Compound
| Compound ID |
CP0700688
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| Compound Name |
SID24786849
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| Structure |
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| Formula |
C19H21ClN4O5
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| Molecular Weight |
420.853
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| Canonical SMILES |
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1
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| InChI |
InChI=1S/C19H21ClN4O5/c1-12(2)19(26)23-9-7-22(8-10-23)15-4-3-13(11-14(15)20)21-18(25)16-5-6-17(29-16)24(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
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| InChIKey |
QTEYXGUOISQTCJ-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