General Information of the Compound
| Compound ID |
CP0378077
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| Compound Name |
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
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| Structure |
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| Formula |
C25H28FN5O2
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| Molecular Weight |
449.53
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| Canonical SMILES |
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)CCC(=O)Nc3ccc(F)cc3)ccc2n1
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| InChI |
InChI=1S/C25H28FN5O2/c1-17-15-23(31-13-11-30(2)12-14-31)29-22-8-7-20(16-21(17)22)28-25(33)10-9-24(32)27-19-5-3-18(26)4-6-19/h3-8,15-16H,9-14H2,1-2H3,(H,27,32)(H,28,33)
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| InChIKey |
UNLNJMQYSJYUPP-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