General Information of the Compound
| Compound ID |
CP0031931
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| Compound Name |
1-[4-[4-[7-amino-2-[3-(hydroxymethyl)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 |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CO)c1
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| InChI |
InChI=1S/C24H25N5O3/c1-15(31)28-7-5-19(6-8-28)29-13-18(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)17-4-2-3-16(9-17)14-30/h2-4,9-13,19,30H,5-8,14H2,1H3,(H2,25,26)
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| InChIKey |
BKLVJHYYETWJAN-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