General Information of the Compound
| Compound ID |
CP0970299
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| Compound Name |
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
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| Formula |
C26H29F3N4O
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| Molecular Weight |
470.539
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| Canonical SMILES |
CN1CCN(C(=O)CNCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CC1
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| InChI |
InChI=1S/C26H29F3N4O/c1-32-6-8-33(9-7-32)23(34)15-30-14-16-10-18(11-16)24-21-12-20(28)13-22(29)26(21)31-25(24)17-2-4-19(27)5-3-17/h2-5,12-13,16,18,30-31H,6-11,14-15H2,1H3
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| InChIKey |
HXVZEYMSBIHRGX-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