General Information of the Compound
| Compound ID |
CP0565720
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| Compound Name |
US8618299, 35
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
Cc1ccc(cn1)-c1ccn(-c2ccc3c4CN5CCCCC5Cc4n(C)c3c2)c(=O)c1
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| InChI |
InChI=1S/C27H28N4O/c1-18-6-7-20(16-28-18)19-10-12-31(27(32)13-19)22-8-9-23-24-17-30-11-4-3-5-21(30)14-26(24)29(2)25(23)15-22/h6-10,12-13,15-16,21H,3-5,11,14,17H2,1-2H3
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| InChIKey |
XADIPHDSSHNZFN-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