General Information of the Compound
| Compound ID |
CP0448257
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| Compound Name |
2-benzylamino-3-benzyloxy-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 |
C30H35N3O4S
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| Molecular Weight |
533.694
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C30H35N3O4S/c1-38(35,36)33-23-30(26-14-8-9-15-28(26)33)16-18-32(19-17-30)29(34)27(31-20-24-10-4-2-5-11-24)22-37-21-25-12-6-3-7-13-25/h2-15,27,31H,16-23H2,1H3
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| InChIKey |
MPBXDRLQKKQOEK-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