General Information of the Compound
| Compound ID |
CP0857218
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| Compound Name |
SID22415875
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
Cc1ccc2nc3c(c(Nc4ccc5c(c4)OCCO5)c2c1)CCC3.Cl
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| InChI |
InChI=1S/C21H20N2O2.ClH/c1-13-5-7-18-16(11-13)21(15-3-2-4-17(15)23-18)22-14-6-8-19-20(12-14)25-10-9-24-19;/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23);1H
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| InChIKey |
IVAAFGPINNIOPG-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: PT06172, Mothers against decapentaplegic homolog 3