General Information of the Compound
| Compound ID |
CP0447474
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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-4-yl]methyl]acetamide
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| Structure |
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| Formula |
C23H29F2N9O2
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| Molecular Weight |
501.542
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| Canonical SMILES |
NCC(=O)NCC1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C23H29F2N9O2/c24-19(25)20-28-16-3-1-2-4-17(16)34(20)23-30-21(29-22(31-23)33-9-11-36-12-10-33)32-7-5-15(6-8-32)14-27-18(35)13-26/h1-4,15,19H,5-14,26H2,(H,27,35)
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| InChIKey |
POSCWDKCXOUAAD-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