General Information of the Compound
| Compound ID |
CP0410740
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| Compound Name |
N',N'-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C14H20F3N7O
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| Molecular Weight |
359.356
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| Canonical SMILES |
CN(C)CCNc1nc(nc2n(C[C@H]3CCCO3)nnc12)C(F)(F)F
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| InChI |
InChI=1S/C14H20F3N7O/c1-23(2)6-5-18-11-10-12(20-13(19-11)14(15,16)17)24(22-21-10)8-9-4-3-7-25-9/h9H,3-8H2,1-2H3,(H,18,19,20)/t9-/m1/s1
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| InChIKey |
ZREFLSZDTFZOSF-SECBINFHSA-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