General Information of the Compound
| Compound ID |
CP0527669
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| Compound Name |
3-(2-(4-benzoylpiperazin-1-yl)-2-oxoethyl)-8-(4-cyclohexylbenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C39H45N5O4
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| Molecular Weight |
647.82
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| Canonical SMILES |
O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C39H45N5O4/c45-35(40-24-26-42(27-25-40)36(46)32-12-6-2-7-13-32)28-43-29-44(34-14-8-3-9-15-34)39(38(43)48)20-22-41(23-21-39)37(47)33-18-16-31(17-19-33)30-10-4-1-5-11-30/h2-3,6-9,12-19,30H,1,4-5,10-11,20-29H2
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| InChIKey |
XWRFDMNSFBHFBV-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