General Information of the Compound
| Compound ID |
CP0958024
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| Compound Name |
US9314468, Table 7, Compound 23
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| Structure |
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| Formula |
C28H34N6O2S
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| Molecular Weight |
518.687
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C28H34N6O2S/c1-37(35,36)34-18-15-32(16-19-34)14-17-33(26-10-4-6-21-7-5-12-30-27(21)26)20-25-28-23(11-13-29-25)22-8-2-3-9-24(22)31-28/h2-3,5,7-9,11-13,26,31H,4,6,10,14-20H2,1H3
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| InChIKey |
OHDHJKCXLPOPDH-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