General Information of the Compound
| Compound ID |
CP0727021
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| Compound Name |
1-(8-(4-((2,4-Dichlorobenzyl)amino)pyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl)-2-(methylamino)ethanone ditrifluoroacetate
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| Structure |
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| Formula |
C26H30Cl2F6N6O5
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| Molecular Weight |
691.457
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| Canonical SMILES |
CNCC(=O)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H28Cl2N6O.2C2HF3O2/c1-25-14-20(31)30-11-7-22(15-30)5-9-29(10-6-22)21-26-8-4-19(28-21)27-13-16-2-3-17(23)12-18(16)24;2*3-2(4,5)1(6)7/h2-4,8,12,25H,5-7,9-11,13-15H2,1H3,(H,26,27,28);2*(H,6,7)
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| InChIKey |
DUBUTCLCAAJHEI-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