General Information of the Compound
| Compound ID |
CP0530488
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| Compound Name |
4-fluoro-N-[(1R)-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
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| Formula |
C22H22FN5O
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| Molecular Weight |
391.45
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1
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| InChI |
InChI=1S/C22H22FN5O/c1-14(25-22(29)16-5-7-17(23)8-6-16)18-9-10-20-19(27-18)4-3-13-28(20)21-11-12-24-15(2)26-21/h5-12,14H,3-4,13H2,1-2H3,(H,25,29)/t14-/m1/s1
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| InChIKey |
CVNUTLWMROKBOR-CQSZACIVSA-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2