General Information of the Compound
| Compound ID |
CP0507124
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| Compound Name |
(S)-5-butyl-9-(1-(4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
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| Structure |
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| Formula |
C32H48F3N5O4
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| Molecular Weight |
623.761
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F
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| InChI |
InChI=1S/C32H48F3N5O4/c1-5-6-7-25-21-39(20-24-8-18-43-19-9-24)29(42)44-31(25)12-16-40(17-13-31)30(4)10-14-38(15-11-30)27(41)26-22(2)36-28(32(33,34)35)37-23(26)3/h24-25H,5-21H2,1-4H3/t25-/m0/s1
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| InChIKey |
PBBNAVGXBQDIMO-VWLOTQADSA-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