General Information of the Compound
| Compound ID |
CP0391073
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| Compound Name |
4-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcubane-1-carboxamide
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| Structure |
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| Formula |
C27H29FN4O2
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| Molecular Weight |
460.553
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
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| InChI |
InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2
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| InChIKey |
PYXAKJINLKPWGN-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