General Information of the Compound
| Compound ID |
CP0085104
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H31FN6O
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| Molecular Weight |
438.551
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3cccnc3C2)ccn1
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| InChI |
InChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28)
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| InChIKey |
UCIYVMWYWYHGNV-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