General Information of the Compound
| Compound ID |
CP0108527
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| Compound Name |
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrrolidin-3-ylmethanone;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H31Cl2F3N6O3
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| Molecular Weight |
603.473
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| Canonical SMILES |
OC(=O)C(F)(F)F.Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCNC3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C24H30Cl2N6O.C2HF3O2/c25-19-2-1-17(20(26)13-19)15-29-21-4-9-28-23(30-21)31-10-5-24(6-11-31)7-12-32(16-24)22(33)18-3-8-27-14-18;3-2(4,5)1(6)7/h1-2,4,9,13,18,27H,3,5-8,10-12,14-16H2,(H,28,29,30);(H,6,7)
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| InChIKey |
DAGYVHTXPPVTTM-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