General Information of the Compound
| Compound ID |
CP0870791
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| Compound Name |
SID49822328
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| Structure |
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| Formula |
C24H29N3O5S
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| Molecular Weight |
471.579
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| Canonical SMILES |
COc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCN(C)CC4)cc3)c(C)c2c1
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| InChI |
InChI=1S/C24H29N3O5S/c1-16-21-15-19(31-4)7-10-22(21)32-23(16)24(28)25-17-5-8-20(9-6-17)33(29,30)27(3)18-11-13-26(2)14-12-18/h5-10,15,18H,11-14H2,1-4H3,(H,25,28)
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| InChIKey |
IYUDVJPNPKVAPG-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: PT06033, Microphthalmia-associated transcription factor