General Information of the Compound
| Compound ID |
CP0883946
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| Compound Name |
N-(3-((1-(2-(Dimethylamino)acetyl)piperidin-4-yl)oxy)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H40F3N5O3
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| Molecular Weight |
575.676
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)CN(C)C)CC1
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| InChI |
InChI=1S/C30H40F3N5O3/c1-21-5-8-24(18-27(21)41-25-9-11-38(12-10-25)28(39)20-35(2)3)34-29(40)22-6-7-23(26(17-22)30(31,32)33)19-37-15-13-36(4)14-16-37/h5-8,17-18,25H,9-16,19-20H2,1-4H3,(H,34,40)
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| InChIKey |
YVHSYJJIVJNTEH-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
Protein ID: PT00649, BCR/ABL p210 fusion protein
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit