General Information of the Compound
| Compound ID |
CP0841871
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| Compound Name |
SID121269805
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| Structure |
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| Formula |
C21H33N3O4S
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| Molecular Weight |
423.579
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| Canonical SMILES |
CC1CCN(CC(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCC(C)CC2)CC1
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| InChI |
InChI=1S/C21H33N3O4S/c1-17-7-11-22(12-8-17)15-20(23-13-9-18(2)10-14-23)16-29(27,28)21-5-3-19(4-6-21)24(25)26/h3-6,17-18,20H,7-16H2,1-2H3
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| InChIKey |
WHFSSAKYWSYLOQ-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