General Information of the Compound
| Compound ID |
CP0793499
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| Compound Name |
SID49722406
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| Structure |
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| Formula |
C28H32N6O
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| Molecular Weight |
468.605
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| Canonical SMILES |
CCc1ccc(CNC(=O)C2CCCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc34)C2)cc1
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| InChI |
InChI=1S/C28H32N6O/c1-4-21-12-14-22(15-13-21)17-29-28(35)23-9-8-16-33(18-23)27-26-25(19(2)30-31-27)20(3)34(32-26)24-10-6-5-7-11-24/h5-7,10-15,23H,4,8-9,16-18H2,1-3H3,(H,29,35)
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| InChIKey |
TYWZYNYHEVTCJH-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