General Information of the Compound
| Compound ID |
CP0864851
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| Compound Name |
SID92764852
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| Structure |
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| Formula |
C20H25ClN4O
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| Molecular Weight |
372.9
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| Canonical SMILES |
CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12.Cl
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| InChI |
InChI=1S/C20H24N4O.ClH/c1-13-7-5-8-14-17(13)23-19-15(18(14)21-2)9-6-10-16(19)20(25)22-11-12-24(3)4;/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,25);1H
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| InChIKey |
FYZKJMWKIWOIDW-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: PT06172, Mothers against decapentaplegic homolog 3