General Information of the Compound
| Compound ID |
CP0407983
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-oxo-2-(4-(phenylsulfonyl)piperazin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C36H43N5O5S
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| Molecular Weight |
657.837
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)C2=O)c1ccccc1
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| InChI |
InChI=1S/C36H43N5O5S/c1-35(2,3)29-16-14-28(15-17-29)33(43)38-20-18-36(19-21-38)34(44)39(27-41(36)30-10-6-4-7-11-30)26-32(42)37-22-24-40(25-23-37)47(45,46)31-12-8-5-9-13-31/h4-17H,18-27H2,1-3H3
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| InChIKey |
LYZGHYDMHXXGRS-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