General Information of the Compound
| Compound ID |
CP0442340
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| Compound Name |
2-amino-N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-yl]acetamide
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| Structure |
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| Formula |
C22H27F2N9O2
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| Molecular Weight |
487.515
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| Canonical SMILES |
NCC(=O)NC1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C22H27F2N9O2/c23-18(24)19-27-15-5-1-2-6-16(15)33(19)22-29-20(31-8-10-35-11-9-31)28-21(30-22)32-7-3-4-14(13-32)26-17(34)12-25/h1-2,5-6,14,18H,3-4,7-13,25H2,(H,26,34)
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| InChIKey |
DSBATFYIWFPNRW-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