General Information of the Compound
| Compound ID |
CP0394989
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| Compound Name |
N-methyl-N-[(2S)-2-methyl-4-[1-[(4-nitrophenyl)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 |
C33H40N4O5S
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| Molecular Weight |
604.773
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| Canonical SMILES |
CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/m1/s1
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| InChIKey |
IEDCJTYQQDVHAW-QOKKUKAESA-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