General Information of the Compound
| Compound ID |
CP0862106
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| Compound Name |
SID99359887
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| Structure |
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| Formula |
C23H18ClN5O2
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| Molecular Weight |
431.883
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| Canonical SMILES |
C#Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3cccc(Cl)c3)cc2n1
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| InChI |
InChI=1S/C23H18ClN5O2/c1-2-19-13-22(27-7-9-28(10-8-27)23(30)17-6-11-31-15-17)29-21(25-19)14-20(26-29)16-4-3-5-18(24)12-16/h1,3-6,11-15H,7-10H2
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| InChIKey |
HIHRDBPZNHRLGO-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: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8