General Information of the Compound
| Compound ID |
CP0791291
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| Compound Name |
SID49828405
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| Structure |
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| Formula |
C28H38N4O5S
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| Molecular Weight |
542.702
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| Canonical SMILES |
CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2cccc(OC)c2OC)CC1
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| InChI |
InChI=1S/C28H38N4O5S/c1-4-30-17-19-31(20-18-30)25-13-12-23(38(34,35)32-15-6-5-7-16-32)21-24(25)29-27(33)14-11-22-9-8-10-26(36-2)28(22)37-3/h8-14,21H,4-7,15-20H2,1-3H3,(H,29,33)/b14-11+
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| InChIKey |
JELDRQBZKBQNBR-SDNWHVSQSA-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