General Information of the Compound
| Compound ID |
CP0154393
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| Compound Name |
(3R,8aS)-3-[3-(5-fluoropyridin-3-yl)phenyl]-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine
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| Structure |
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| Formula |
C19H21FN4
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| Molecular Weight |
324.403
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| Canonical SMILES |
C[C@@]1(N=C(N)[C@@H]2CCCCN12)c1cccc(c1)-c1cncc(F)c1
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| InChI |
InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19-/m0/s1
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| InChIKey |
LXQPUHUACOXCSI-HKUYNNGSSA-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