General Information of the Compound
| Compound ID |
CP0547465
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| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-1-pyridin-3-ylsulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C28H29ClN4O4S
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| Molecular Weight |
553.084
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| Canonical SMILES |
CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1cccnc1
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| InChI |
InChI=1S/C28H29ClN4O4S/c1-19-28(11-14-32(15-12-28)20(2)34)24-16-21(27(35)31-17-22-6-3-4-8-25(22)29)9-10-26(24)33(19)38(36,37)23-7-5-13-30-18-23/h3-10,13,16,18-19H,11-12,14-15,17H2,1-2H3,(H,31,35)
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| InChIKey |
ADIMLYDNRFSNCC-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