General Information of the Compound
| Compound ID |
CP0437341
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(3-ethylpiperidin-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 |
C33H44N4O3
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| Molecular Weight |
544.74
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| Canonical SMILES |
CCC1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C33H44N4O3/c1-5-25-10-9-19-35(22-25)29(38)23-36-24-37(28-11-7-6-8-12-28)33(31(36)40)17-20-34(21-18-33)30(39)26-13-15-27(16-14-26)32(2,3)4/h6-8,11-16,25H,5,9-10,17-24H2,1-4H3
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| InChIKey |
IRUXBOBIFWAWNZ-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