General Information of the Compound
| Compound ID |
CP0470883
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| Compound Name |
CHEMBL4085364
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| Formula |
C23H28N4O2
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| Molecular Weight |
394.5152036
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| Canonical SMILES |
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11C[C@H](C)[C@@H](OC)[C@H](C)C1)-c1cncnc1
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| InChI |
InChI=1S/C23H28N4O2/c1-14-7-22(8-15(2)20(14)28-3)9-17-5-4-16(18-10-25-13-26-11-18)6-19(17)23(22)12-29-21(24)27-23/h4-6,10-11,13-15,20H,7-9,12H2,1-3H3,(H2,24,27)/t14-,15+,20+,22+,23-/m0/s1/i12D2
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| InChIKey |
WEUYFLJIIPRWIS-AQYDYDSLSA-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