General Information of the Compound
| Compound ID |
CP0960197
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| Compound Name |
SID121285075
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| Structure |
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| Formula |
C26H28N6S
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| Molecular Weight |
456.619
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| Canonical SMILES |
C(=C/c1ccccc1)\CN1CCN(C(c2cccs2)c2nnnn2Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H28N6S/c1-3-9-22(10-4-1)13-7-15-30-16-18-31(19-17-30)25(24-14-8-20-33-24)26-27-28-29-32(26)21-23-11-5-2-6-12-23/h1-14,20,25H,15-19,21H2/b13-7+
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| InChIKey |
YRCAAZQLWVSWGN-NTUHNPAUSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3