General Information of the Compound
| Compound ID |
CP0553527
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| Compound Name |
N-(2-amino-2-oxoethyl)-1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C23H27F2N9O3
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| Molecular Weight |
515.525
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| Canonical SMILES |
NC(=O)CNC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-3-1-2-4-16(15)34(19)23-30-21(29-22(31-23)33-9-11-37-12-10-33)32-7-5-14(6-8-32)20(36)27-13-17(26)35/h1-4,14,18H,5-13H2,(H2,26,35)(H,27,36)
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| InChIKey |
BKCCBMUKRJSSII-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