General Information of the Compound
| Compound ID |
CP0505514
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| Compound Name |
3-benzyloxy-2-(4-methoxybenzylamino)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-1-propanone
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| Structure |
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| Formula |
C32H40N4O4S
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| Molecular Weight |
576.763
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| Canonical SMILES |
CN(C)c1ccc(CNC(COCc2ccccc2)C(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
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| InChI |
InChI=1S/C32H40N4O4S/c1-34(2)27-15-13-25(14-16-27)21-33-29(23-40-22-26-9-5-4-6-10-26)31(37)35-19-17-32(18-20-35)24-36(41(3,38)39)30-12-8-7-11-28(30)32/h4-16,29,33H,17-24H2,1-3H3
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| InChIKey |
RRRWOVLMDWKHLB-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