General Information of the Compound
| Compound ID |
CP0930928
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| Compound Name |
(4-{2-(4-Fluorophenyl)-2-[(pyridin-2-ylmethyl)-amino]-ethyl}-piperazin-1-yl)(tetrahydro-furan-2-yl)methanone
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| Structure |
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| Formula |
C23H29FN4O2
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| Molecular Weight |
412.509
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(CC(NCc2ccccn2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H29FN4O2/c24-19-8-6-18(7-9-19)21(26-16-20-4-1-2-10-25-20)17-27-11-13-28(14-12-27)23(29)22-5-3-15-30-22/h1-2,4,6-10,21-22,26H,3,5,11-17H2
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| InChIKey |
NMRQLJITCWYPSY-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