General Information of the Compound
| Compound ID |
CP0527667
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| Compound Name |
methyl 2-[[2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]acetate
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| Structure |
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| Formula |
C31H38N4O5
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| Molecular Weight |
546.668
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| Canonical SMILES |
COC(=O)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C31H38N4O5/c1-40-28(37)20-32-27(36)21-34-22-35(26-10-6-3-7-11-26)31(30(34)39)16-18-33(19-17-31)29(38)25-14-12-24(13-15-25)23-8-4-2-5-9-23/h3,6-7,10-15,23H,2,4-5,8-9,16-22H2,1H3,(H,32,36)
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| InChIKey |
IVUKHZADYZIVGE-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