General Information of the Compound
| Compound ID |
CP0567536
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| Compound Name |
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
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| Formula |
C29H30F3N7O2
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| Molecular Weight |
565.6
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3n[nH]c4ncccc34)c2)CC1
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| InChI |
InChI=1S/C29H30F3N7O2/c1-3-38-11-13-39(14-12-38)17-20-8-7-19(15-23(20)29(30,31)32)27(40)34-21-9-6-18(2)24(16-21)35-28(41)25-22-5-4-10-33-26(22)37-36-25/h4-10,15-16H,3,11-14,17H2,1-2H3,(H,34,40)(H,35,41)(H,33,36,37)
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| InChIKey |
UQIDHADCFFSNOG-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