General Information of the Compound
| Compound ID |
CP0429563
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| Compound Name |
4-benzyl-1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C31H32FN5O2
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| Molecular Weight |
525.628
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(Cc4ccccc4)(CC3)C#N)c2c1
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| InChI |
InChI=1S/C31H32FN5O2/c32-24-8-9-27-25(18-24)28(35-12-10-31(21-33,11-13-35)19-22-4-2-1-3-5-22)26(20-34-27)30(39)37-16-14-36(15-17-37)29(38)23-6-7-23/h1-5,8-9,18,20,23H,6-7,10-17,19H2
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| InChIKey |
CAGSBCWJZUNSRZ-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