General Information of the Compound
| Compound ID |
CP0342335
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| Compound Name |
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
CCCCc1ccc(cc1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(CC)CC1
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| InChI |
InChI=1S/C27H34N4O/c1-4-6-7-21-8-10-22(11-9-21)27(32)28-23-12-13-25-24(19-23)20(3)18-26(29-25)31-16-14-30(5-2)15-17-31/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,28,32)
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| InChIKey |
VERXMSNVBNWROJ-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