General Information of the Compound
| Compound ID |
CP0407982
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-oxo-2-(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 |
C30H39N5O3
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| Molecular Weight |
517.674
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)N1CCNCC1)C2=O)c1ccccc1
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| InChI |
InChI=1S/C30H39N5O3/c1-29(2,3)24-11-9-23(10-12-24)27(37)33-17-13-30(14-18-33)28(38)34(21-26(36)32-19-15-31-16-20-32)22-35(30)25-7-5-4-6-8-25/h4-12,31H,13-22H2,1-3H3
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| InChIKey |
OGTLRIVKQDXKIQ-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