General Information of the Compound
| Compound ID |
CP0565971
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| Compound Name |
(4R)-6-(1-tert-butylpyrazol-4-
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| Structure |
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| Formula |
C17H22N4O
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| Molecular Weight |
298.39
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2cccc(-c3cnn(c3)C(C)(C)C)c2N1
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| InChI |
InChI=1S/C17H22N4O/c1-11-8-15(22)20-14-7-5-6-13(16(14)19-11)12-9-18-21(10-12)17(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,20,22)/t11-/m1/s1
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| InChIKey |
HPSNXSAYALRMQW-LLVKDONJSA-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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