General Information of the Compound
| Compound ID |
CP0498567
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(4-(1,5-diethyl-4-methyl-1H-pyrazol-3-yl)piperidin-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 |
C39H52N6O3
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| Molecular Weight |
652.884
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| Canonical SMILES |
CCc1c(C)c(nn1CC)C1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C39H52N6O3/c1-7-33-28(3)35(40-45(33)8-2)29-18-22-41(23-19-29)34(46)26-43-27-44(32-12-10-9-11-13-32)39(37(43)48)20-24-42(25-21-39)36(47)30-14-16-31(17-15-30)38(4,5)6/h9-17,29H,7-8,18-27H2,1-6H3
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| InChIKey |
OOIPAMWXAMJXGE-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