General Information of the Compound
| Compound ID |
CP0712828
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| Compound Name |
SID22402539
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| Structure |
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| Formula |
C18H21N7O4S2
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| Molecular Weight |
463.545
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| Canonical SMILES |
Cc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1
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| InChI |
InChI=1S/C18H21N7O4S2/c1-13-4-6-14(7-5-13)24-18(20-21-22-24)30-17-9-8-15(12-16(17)25(26)27)31(28,29)19-10-11-23(2)3/h4-9,12,19H,10-11H2,1-3H3
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| InChIKey |
CBBGUETWGGRLRT-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