General Information of the Compound
| Compound ID |
CP0468765
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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]phenyl]acetamide
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| Structure |
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| Formula |
C28H29N9O
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| Molecular Weight |
507.602
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1
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| InChI |
InChI=1S/C28H29N9O/c1-18(38)32-20-6-5-7-22(14-20)37-25-9-4-3-8-23(25)34-28(37)26-27(29)30-16-24(33-26)19-15-31-36(17-19)21-10-12-35(2)13-11-21/h3-9,14-17,21H,10-13H2,1-2H3,(H2,29,30)(H,32,38)
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| InChIKey |
YJEGLWNTKMTBGD-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