General Information of the Compound
| Compound ID |
CP0443995
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| Compound Name |
3-[2-[2-(dihexylamino)acetyl]-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]chromen-2-one
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| Structure |
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| Formula |
C33H40F3N3O3
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| Molecular Weight |
583.695
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| Canonical SMILES |
CCCCCCN(CCCCCC)CC(=O)N1N=C(CC1c1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C33H40F3N3O3/c1-3-5-7-13-19-38(20-14-8-6-4-2)23-31(40)39-29(25-16-10-11-17-27(25)33(34,35)36)22-28(37-39)26-21-24-15-9-12-18-30(24)42-32(26)41/h9-12,15-18,21,29H,3-8,13-14,19-20,22-23H2,1-2H3
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| InChIKey |
YKSJVVHQOXOPHA-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