General Information of the Compound
| Compound ID |
CP0377356
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| Compound Name |
N-methyl-N-[(2S)-2-methyl-4-(1-methyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)-2-phenylbutyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H37N3O3S
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| Molecular Weight |
483.678
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| Canonical SMILES |
CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2C)C1)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H37N3O3S/c1-27(23-10-6-4-7-11-23,21-28(2)34(32,33)24-12-8-5-9-13-24)17-19-30-18-16-25-22(20-30)14-15-26(31)29(25)3/h4-13,22,25H,14-21H2,1-3H3/t22?,25?,27-/m1/s1
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| InChIKey |
QPHAZZUHBRVUDC-GHTCIJBCSA-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