General Information of the Compound
| Compound ID |
CP0530150
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| Compound Name |
CHEMBL4436444
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| Formula |
C24H31N5O
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| Molecular Weight |
405.546
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| Canonical SMILES |
CCCCCCN(C)Cc1cccc(c1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
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| InChI |
InChI=1S/C24H31N5O/c1-5-6-7-8-12-28(4)16-18-10-9-11-19(13-18)22-21(17(2)3)24(30)29-23(27-22)20(14-25)15-26-29/h9-11,13,15,17,27H,5-8,12,16H2,1-4H3
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| InChIKey |
OHXZVGXBNAAWBB-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