General Information of the Compound
| Compound ID |
CP0746439
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| Compound Name |
(9H-fluoren-9-yl)methyl 2-oxo-2-((1-phenethylpiperidin-4-yl)(phenyl)amino)-ethylcarbamate hydrochloride
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| Structure |
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| Formula |
C36H38ClN3O3
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| Molecular Weight |
596.171
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| Canonical SMILES |
Cl.O=C(NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21
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| InChI |
InChI=1S/C36H37N3O3.ClH/c40-35(25-37-36(41)42-26-34-32-17-9-7-15-30(32)31-16-8-10-18-33(31)34)39(28-13-5-2-6-14-28)29-20-23-38(24-21-29)22-19-27-11-3-1-4-12-27;/h1-18,29,34H,19-26H2,(H,37,41);1H
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| InChIKey |
HUULKCXVYRWYPX-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