General Information of the Compound
| Compound ID |
CP0484255
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| Compound Name |
1'-acetyl-1-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C29H30ClN3O4S
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| Molecular Weight |
552.096
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| Canonical SMILES |
CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H30ClN3O4S/c1-20-29(14-16-32(17-15-29)21(2)34)25-18-22(28(35)31-19-23-8-6-7-11-26(23)30)12-13-27(25)33(20)38(36,37)24-9-4-3-5-10-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,31,35)
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| InChIKey |
NEPXCHXLAIMRBY-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