General Information of the Compound
| Compound ID |
CP0857368
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| Compound Name |
SID89852452
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
CC(C)CC(=NNC(=O)c1ccncc1)c1cc(Cl)ccc1O
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| InChI |
InChI=1S/C17H18ClN3O2/c1-11(2)9-15(14-10-13(18)3-4-16(14)22)20-21-17(23)12-5-7-19-8-6-12/h3-8,10-11,22H,9H2,1-2H3,(H,21,23)
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| InChIKey |
RKYOOFYXWKNEDT-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1