General Information of the Compound
| Compound ID |
CP0709752
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| Compound Name |
SID51087137
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| Structure |
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| Formula |
C30H35ClN4O4S2
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| Molecular Weight |
615.221
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| Canonical SMILES |
COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12.Cl
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| InChI |
InChI=1S/C30H34N4O4S2.ClH/c1-21-10-15-26(38-4)27-28(21)39-30(31-27)34(18-7-17-32(2)3)29(35)23-11-13-25(14-12-23)40(36,37)33-19-16-22-8-5-6-9-24(22)20-33;/h5-6,8-15H,7,16-20H2,1-4H3;1H
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| InChIKey |
PPTLNQZFALAMSG-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