General Information of the Compound
| Compound ID |
CP0403256
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| Compound Name |
N-[5-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]-2-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H31N9O2
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| Molecular Weight |
549.639
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| Canonical SMILES |
COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
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| InChI |
InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
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| InChIKey |
KRWMYQAXGQFDBY-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