General Information of the Compound
| Compound ID |
CP0554205
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| Compound Name |
[2-(4-fluorophenyl)-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C26H30FN5O
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| Molecular Weight |
447.558
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| Canonical SMILES |
Fc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccncc1
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| InChI |
InChI=1S/C26H30FN5O/c27-20-4-7-22(8-5-20)32-25(26(33)31-16-2-1-3-17-31)23-18-21(6-9-24(23)30-32)29-15-12-19-10-13-28-14-11-19/h4-5,7-8,10-11,13-14,21,29H,1-3,6,9,12,15-18H2
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| InChIKey |
INRQUHFDEXNXAQ-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