General Information of the Compound
| Compound ID |
CP0803128
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| Compound Name |
SID22406672
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| Structure |
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| Formula |
C25H22ClN5O2S2
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| Molecular Weight |
524.071
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| Canonical SMILES |
COCCn1c(SCc2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2)nnc1-c1cccc(C)c1
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| InChI |
InChI=1S/C25H22ClN5O2S2/c1-15-4-3-5-17(12-15)22-29-30-25(31(22)10-11-33-2)35-14-20-27-23(32)21-19(13-34-24(21)28-20)16-6-8-18(26)9-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,28,32)
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| InChIKey |
ITKLRJPISSMQRS-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: PT06172, Mothers against decapentaplegic homolog 3