General Information of the Compound
| Compound ID |
CP0407984
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| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(3-methylpiperidin-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 |
C32H42N4O3
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| Molecular Weight |
530.713
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| Canonical SMILES |
CC1CCCN(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/C32H42N4O3/c1-24-9-8-18-34(21-24)28(37)22-35-23-36(27-10-6-5-7-11-27)32(30(35)39)16-19-33(20-17-32)29(38)25-12-14-26(15-13-25)31(2,3)4/h5-7,10-15,24H,8-9,16-23H2,1-4H3
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| InChIKey |
WBQGXOLRCUSPNY-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