General Information of the Compound
| Compound ID |
CP0512377
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| Compound Name |
3-[2-(2-chloroacetyl)-3-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
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| Structure |
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| Formula |
C20H15ClN2O3
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| Molecular Weight |
366.804
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| Canonical SMILES |
ClCC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C20H15ClN2O3/c21-12-19(24)23-17(13-6-2-1-3-7-13)11-16(22-23)15-10-14-8-4-5-9-18(14)26-20(15)25/h1-10,17H,11-12H2
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| InChIKey |
NZTKXDYABLIVOU-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