General Information of the Compound
| Compound ID |
CP0023874
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| Compound Name |
1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C24H22F3N5O2
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| Molecular Weight |
469.467
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29)
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| InChIKey |
LGKUGYDKPIMGGF-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