General Information of the Compound
| Compound ID |
CP0883999
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| Compound Name |
SID56323074
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| Structure |
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| Formula |
C29H34ClN3O3S
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| Molecular Weight |
540.129
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| Canonical SMILES |
CC1(C)CC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC(C)(C)N1
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| InChI |
InChI=1S/C29H34ClN3O3S/c1-28(2)18-23(19-29(3,4)32-28)31-27(34)22-15-16-25(30)26(17-22)37(35,36)33(24-13-9-6-10-14-24)20-21-11-7-5-8-12-21/h5-17,23,32H,18-20H2,1-4H3,(H,31,34)
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| InChIKey |
KALVJXPMWHRHML-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: PT06033, Microphthalmia-associated transcription factor