General Information of the Compound
| Compound ID |
CP0575825
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| Compound Name |
[4-[4-(azepan-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C24H29FN4O2
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| Molecular Weight |
424.52
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCCCCC3)c2c1
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| InChI |
InChI=1S/C24H29FN4O2/c25-18-7-8-21-19(15-18)22(27-9-3-1-2-4-10-27)20(16-26-21)24(31)29-13-11-28(12-14-29)23(30)17-5-6-17/h7-8,15-17H,1-6,9-14H2
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| InChIKey |
QYKIJBYLMMMTJS-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