General Information of the Compound
| Compound ID |
CP0852328
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| Compound Name |
SID49719507
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| Structure |
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| Formula |
C24H33FN4O4S
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| Molecular Weight |
492.617
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| Canonical SMILES |
CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1
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| InChI |
InChI=1S/C24H33FN4O4S/c1-4-28(5-2)17-14-26-24(30)20-12-15-29(16-13-20)34(31,32)23-18(3)27-33-22(23)11-10-19-8-6-7-9-21(19)25/h6-11,20H,4-5,12-17H2,1-3H3,(H,26,30)/b11-10+
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| InChIKey |
HNKWCTYGBJTFKG-ZHACJKMWSA-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