General Information of the Compound
| Compound ID |
CP0462874
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| Compound Name |
US9193736, 28
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| Structure |
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| Formula |
C28H23N7O4S
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| Molecular Weight |
553.604
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(cn1)-c1c(nc2c(ccnn12)N1CCOCC1)C#Cc1ccc2ccccc2n1
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| InChI |
InChI=1S/C28H23N7O4S/c1-40(37,38)33-28(36)24-10-7-20(18-29-24)26-23(11-9-21-8-6-19-4-2-3-5-22(19)31-21)32-27-25(12-13-30-35(26)27)34-14-16-39-17-15-34/h2-8,10,12-13,18H,14-17H2,1H3,(H,33,36)
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| InChIKey |
QTMVPNDMQDXUDG-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