General Information of the Compound
| Compound ID |
CP0919038
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| Compound Name |
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone
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| Structure |
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| Formula |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
O=C(c1[nH]nc2c1CCC2)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C21H19N5O2/c27-19-9-2-1-6-15(19)18-11-17(13-5-4-10-22-12-13)25-26(18)21(28)20-14-7-3-8-16(14)23-24-20/h1-2,4-6,9-10,12,18,27H,3,7-8,11H2,(H,23,24)
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| InChIKey |
FOQSVLDJVDVXNU-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