General Information of the Compound
| Compound ID |
CP0932402
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| Compound Name |
(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-5-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H21N5O4
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| Molecular Weight |
467.485
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| Canonical SMILES |
O=C(c1cc(-c2ccc3c(c2)OCCO3)n[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C26H21N5O4/c32-23-6-2-1-5-18(23)22-14-20(17-4-3-9-27-15-17)30-31(22)26(33)21-13-19(28-29-21)16-7-8-24-25(12-16)35-11-10-34-24/h1-9,12-13,15,22,32H,10-11,14H2,(H,28,29)
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| InChIKey |
UXUOXVNCQHNJTR-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