General Information of the Compound
| Compound ID |
CP0294457
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| Compound Name |
N-[4-[1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine
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| Structure |
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| Formula |
C26H21ClN6
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| Molecular Weight |
452.949
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| Canonical SMILES |
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1
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| InChI |
InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32)
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| InChIKey |
CMRVVFISLQYZNR-UHFFFAOYSA-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: PT01151, Amyloid-beta precursor protein
Protein ID: PT01020, Beta-secretase 1