General Information of the Compound
| Compound ID |
CP0437340
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| Compound Name |
2-(8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-hydroxybutyl)acetamide
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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 |
OCCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C32H42N4O4/c37-22-8-7-19-33-29(38)23-35-24-36(28-11-5-2-6-12-28)32(31(35)40)17-20-34(21-18-32)30(39)27-15-13-26(14-16-27)25-9-3-1-4-10-25/h2,5-6,11-16,25,37H,1,3-4,7-10,17-24H2,(H,33,38)
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| InChIKey |
ZWMWCOFFKCZTIU-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