General Information of the Compound
| Compound ID |
CP0964164
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| Compound Name |
5-cyclopropyl-6-(3-fluoro-2-methylpyridin-4-yl)-N-((3S,4S)-3-fluoropiperidin-4-yl)-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H23F2N5
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| Molecular Weight |
383.446
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| Canonical SMILES |
Cc1nccc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)c1F
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| InChI |
InChI=1S/C21H23F2N5/c1-11-20(23)13(4-7-25-11)15-9-19-16(8-14(15)12-2-3-12)21(28-27-19)26-18-5-6-24-10-17(18)22/h4,7-9,12,17-18,24H,2-3,5-6,10H2,1H3,(H2,26,27,28)/t17-,18-/m0/s1
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| InChIKey |
XZAOOSGKUBHZSY-ROUUACIJSA-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: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8