General Information of the Compound
| Compound ID |
CP0492018
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| Compound Name |
N-methyl-N-[(2S)-2-methyl-2-phenyl-4-[1-(2-phenylacetyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]butyl]benzenesulfonamide
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| Structure |
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| Formula |
C33H41N3O3S
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| Molecular Weight |
559.776
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| Canonical SMILES |
CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(25-35)18-22-36(31)32(37)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1
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| InChIKey |
ZPOGAAHIGIWSTJ-OKJCBAKCSA-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