General Information of the Compound
| Compound ID |
CP0470882
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| Compound Name |
CHEMBL4074071
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| Formula |
C22H25N3O2
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| Molecular Weight |
365.4732036
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| Canonical SMILES |
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cccnc1
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| InChI |
InChI=1S/C22H25N3O2/c1-26-18-6-8-21(9-7-18)12-16-5-4-15(17-3-2-10-24-13-17)11-19(16)22(21)14-27-20(23)25-22/h2-5,10-11,13,18H,6-9,12,14H2,1H3,(H2,23,25)/t18-,21-,22-/m0/s1/i14D2
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| InChIKey |
GEYWBDIFOOXJFR-JPJSVPEHSA-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