General Information of the Compound
| Compound ID |
CP0407986
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(2-(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)N1CCCCC1CO)C2=O)c1ccccc1
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| InChI |
InChI=1S/C32H42N4O4/c1-31(2,3)25-14-12-24(13-15-25)29(39)33-19-16-32(17-20-33)30(40)34(23-36(32)26-9-5-4-6-10-26)21-28(38)35-18-8-7-11-27(35)22-37/h4-6,9-10,12-15,27,37H,7-8,11,16-23H2,1-3H3
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| InChIKey |
VXBKNOLUPHJXTB-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