General Information of the Compound
| Compound ID |
CP0379957
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(3-(hydroxymethyl)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 |
C32H42N4O4
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| Molecular Weight |
546.712
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)N1CCCC(CO)C1)C2=O)c1ccccc1
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| InChI |
InChI=1S/C32H42N4O4/c1-31(2,3)26-13-11-25(12-14-26)29(39)33-18-15-32(16-19-33)30(40)35(23-36(32)27-9-5-4-6-10-27)21-28(38)34-17-7-8-24(20-34)22-37/h4-6,9-14,24,37H,7-8,15-23H2,1-3H3
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| InChIKey |
KAWCBEFXXXJQMI-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