General Information of the Compound
| Compound ID |
CP0415887
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| Compound Name |
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C28H32FN5O2
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| Molecular Weight |
489.595
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(CC4CC4)(CC3)C#N)c2c1
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| InChI |
InChI=1S/C28H32FN5O2/c29-21-5-6-24-22(15-21)25(32-9-7-28(18-30,8-10-32)16-19-1-2-19)23(17-31-24)27(36)34-13-11-33(12-14-34)26(35)20-3-4-20/h5-6,15,17,19-20H,1-4,7-14,16H2
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| InChIKey |
IOXNMWMNNXUJHI-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