General Information of the Compound
| Compound ID |
CP0804936
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| Compound Name |
SID24835534
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| Structure |
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| Formula |
C25H33N3O7S
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| Molecular Weight |
519.62
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| Canonical SMILES |
Cc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C.O=C(O)C(=O)O
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| InChI |
InChI=1S/C23H31N3O3S.C2H2O4/c1-18-9-10-21(16-22(18)30(28,29)25(2)3)24-23(27)17-26-13-11-20(12-14-26)15-19-7-5-4-6-8-19;3-1(4)2(5)6/h4-10,16,20H,11-15,17H2,1-3H3,(H,24,27);(H,3,4)(H,5,6)
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| InChIKey |
BRPKFAGHIICJCD-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