General Information of the Compound
| Compound ID |
CP0545481
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| Compound Name |
1-[4-[5-chloro-2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H32ClN5O3
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| Molecular Weight |
486.016
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| Canonical SMILES |
OCC1CCN(Cc2ccc(Nc3ncc(Cl)c(OC4CCN(CC4)C(=O)C=C)n3)cc2)CC1
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| InChI |
InChI=1S/C25H32ClN5O3/c1-2-23(33)31-13-9-21(10-14-31)34-24-22(26)15-27-25(29-24)28-20-5-3-18(4-6-20)16-30-11-7-19(17-32)8-12-30/h2-6,15,19,21,32H,1,7-14,16-17H2,(H,27,28,29)
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| InChIKey |
MVBUUKRNSQJBDL-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