General Information of the Compound
| Compound ID |
CP0517965
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| Compound Name |
CHEMBL4065448
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| Formula |
C21H24N4O2
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| Molecular Weight |
366.4612036
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| Canonical SMILES |
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncnc1
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| InChI |
InChI=1S/C21H24N4O2/c1-26-17-4-6-20(7-5-17)9-15-3-2-14(16-10-23-13-24-11-16)8-18(15)21(20)12-27-19(22)25-21/h2-3,8,10-11,13,17H,4-7,9,12H2,1H3,(H2,22,25)/t17-,20-,21-/m0/s1/i12D2
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| InChIKey |
HCULHXVLYCNDEI-QKRXBBJISA-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
Protein ID: PT01020, Beta-secretase 1
Protein ID: PT01134, Beta-secretase 2