General Information of the Compound
| Compound ID |
CP0445081
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| Compound Name |
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]-4-fluorophenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H28FN9O
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| Molecular Weight |
537.603
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F
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| InChI |
InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40)
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| InChIKey |
PFNPEPRNIXDOBZ-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