General Information of the Compound
| Compound ID |
CP0544204
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| Compound Name |
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C29H30F3N5O
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| Molecular Weight |
521.587
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CCc3cccc(c3)-c3cnc4[nH]ccc4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H30F3N5O/c1-36-11-13-37(14-12-36)19-23-6-7-25(17-26(23)29(30,31)32)35-27(38)8-5-20-3-2-4-21(15-20)24-16-22-9-10-33-28(22)34-18-24/h2-4,6-7,9-10,15-18H,5,8,11-14,19H2,1H3,(H,33,34)(H,35,38)
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| InChIKey |
OTHZCKVCMMTCRJ-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