General Information of the Compound
| Compound ID |
CP0554166
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| Compound Name |
1'-acetyl-N-[1-(2-chlorophenyl)cyclopropyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Formula |
C33H33ClFN3O4S
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| Molecular Weight |
622.162
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(cc21)C(=O)NC1(CC1)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H33ClFN3O4S/c1-21(39)37-18-16-32(17-19-37)27-20-23(31(40)36-33(14-15-33)26-4-2-3-5-28(26)34)8-13-29(27)38(30(32)22-6-7-22)43(41,42)25-11-9-24(35)10-12-25/h2-5,8-13,20,22,30H,6-7,14-19H2,1H3,(H,36,40)
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| InChIKey |
VVLNXOIUZWPOPU-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