General Information of the Compound
| Compound ID |
CP0771055
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| Compound Name |
SID24793086
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| Structure |
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| Formula |
C22H19ClN4O5
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| Molecular Weight |
454.87
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| Canonical SMILES |
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc([N+](=O)[O-])o1
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| InChI |
InChI=1S/C22H19ClN4O5/c23-16-3-1-15(2-4-16)22(29)26-13-11-25(12-14-26)18-7-5-17(6-8-18)24-21(28)19-9-10-20(32-19)27(30)31/h1-10H,11-14H2,(H,24,28)
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| InChIKey |
WUUHWYBLYZMHBW-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