General Information of the Compound
| Compound ID |
CP0498247
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H41N5O5S
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| Molecular Weight |
595.766
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)N1CCN(CC1)S(C)(=O)=O)C2=O)c1ccccc1
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| InChI |
InChI=1S/C31H41N5O5S/c1-30(2,3)25-12-10-24(11-13-25)28(38)33-16-14-31(15-17-33)29(39)34(23-36(31)26-8-6-5-7-9-26)22-27(37)32-18-20-35(21-19-32)42(4,40)41/h5-13H,14-23H2,1-4H3
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| InChIKey |
NESMFLWTNRLKDJ-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