General Information of the Compound
| Compound ID |
CP0575827
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| Compound Name |
[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C26H31FN4O2
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| Molecular Weight |
450.558
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3C[C@H]4CCCC[C@H]4C3)c2c1
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| InChI |
InChI=1S/C26H31FN4O2/c27-20-7-8-23-21(13-20)24(31-15-18-3-1-2-4-19(18)16-31)22(14-28-23)26(33)30-11-9-29(10-12-30)25(32)17-5-6-17/h7-8,13-14,17-19H,1-6,9-12,15-16H2/t18-,19+
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| InChIKey |
HYFZZFNHECDBKF-KDURUIRLSA-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