General Information of the Compound
| Compound ID |
CP0893515
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| Compound Name |
SID49828477
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| Structure |
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| Formula |
C29H34N4O4S
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| Molecular Weight |
534.682
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)cc1
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| InChI |
InChI=1S/C29H34N4O4S/c1-4-32(5-2)18-17-30-28(34)22-13-15-25(16-14-22)31-29(35)24-10-8-11-26(20-24)38(36,37)33-21(3)19-23-9-6-7-12-27(23)33/h6-16,20-21H,4-5,17-19H2,1-3H3,(H,30,34)(H,31,35)
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| InChIKey |
NPKUTLKNERAJAY-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