General Information of the Compound
| Compound ID |
CP0407740
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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]propyl]prop-2-enamide
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| Structure |
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| Formula |
C26H31N9O
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| Molecular Weight |
485.596
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCCNC(=O)C=C
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| InChI |
InChI=1S/C26H31N9O/c1-3-23(36)28-11-6-12-34-22-8-5-4-7-20(22)32-26(34)24-25(27)29-16-21(31-24)18-15-30-35(17-18)19-9-13-33(2)14-10-19/h3-5,7-8,15-17,19H,1,6,9-14H2,2H3,(H2,27,29)(H,28,36)
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| InChIKey |
AZZKJMUTEWPEPO-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