General Information of the Compound
| Compound ID |
CP0527688
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-oxo-2-(4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C40H54N6O3
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| Molecular Weight |
666.911
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| Canonical SMILES |
CCc1nn(CC)c(C2CCN(CC2)C(=O)CN2CN(c3ccccc3)C3(CCN(CC3)C(=O)c3ccc(cc3)C(C)(C)C)C2=O)c1CC
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| InChI |
InChI=1S/C40H54N6O3/c1-7-33-34(8-2)41-46(9-3)36(33)29-19-23-42(24-20-29)35(47)27-44-28-45(32-13-11-10-12-14-32)40(38(44)49)21-25-43(26-22-40)37(48)30-15-17-31(18-16-30)39(4,5)6/h10-18,29H,7-9,19-28H2,1-6H3
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| InChIKey |
SZVRYGJNXRMNNE-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