General Information of the Compound
| Compound ID |
CP0406275
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| Compound Name |
3-benzyloxy-2-(3-methylbenzylamino)-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 |
C31H37N3O4S
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| Molecular Weight |
547.721
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| Canonical SMILES |
Cc1cccc(CNC(COCc2ccccc2)C(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)c1
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| InChI |
InChI=1S/C31H37N3O4S/c1-24-9-8-12-26(19-24)20-32-28(22-38-21-25-10-4-3-5-11-25)30(35)33-17-15-31(16-18-33)23-34(39(2,36)37)29-14-7-6-13-27(29)31/h3-14,19,28,32H,15-18,20-23H2,1-2H3
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| InChIKey |
XQGMOTVYEJXTQB-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