General Information of the Compound
| Compound ID |
CP0546224
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| Compound Name |
(S)-N-(1-(2-fluorophenethyl)piperidin-4-yl)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H33ClFN3O3S
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| Molecular Weight |
558.119
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| Canonical SMILES |
CN(C1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
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| InChI |
InChI=1S/C29H33ClFN3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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| InChIKey |
JGWNDWXZPDXGBE-NDEPHWFRSA-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