General Information of the Compound
| Compound ID |
CP0536464
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| Compound Name |
3-[2-[2-(dibutylamino)acetyl]-3-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CCCCN(CCCC)CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C28H33N3O3/c1-3-5-16-30(17-6-4-2)20-27(32)31-25(21-12-8-7-9-13-21)19-24(29-31)23-18-22-14-10-11-15-26(22)34-28(23)33/h7-15,18,25H,3-6,16-17,19-20H2,1-2H3
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| InChIKey |
BGFPTEGKEJFHLP-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