General Information of the Compound
| Compound ID |
CP0452104
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| Compound Name |
(5S)-5-butyl-3-((4,4-difluorocyclohexyl)methyl)-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
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| Structure |
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| Formula |
C32H49F2N5O3
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| Molecular Weight |
589.772
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCC(F)(F)CC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C32H49F2N5O3/c1-5-6-7-26-21-38(20-25-8-10-32(33,34)11-9-25)29(41)42-31(26)14-18-39(19-15-31)30(4)12-16-37(17-13-30)28(40)27-23(2)35-22-36-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1
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| InChIKey |
ZOUBVRYFOBAGOI-SANMLTNESA-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