General Information of the Compound
| Compound ID |
CP0494640
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| Compound Name |
3'-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1'-phenyl-3'-(trifluoromethyl)-3',7'-dihydrospiro[cyclobutane-1,6'-indole]-2',4'(1'H,5'H)-dione
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| Structure |
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| Formula |
C28H24F3N3O3
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| Molecular Weight |
507.512
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC1(CCC1)C2)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H24F3N3O3/c1-17-22(24(36)34(32-17)19-11-6-3-7-12-19)27(28(29,30)31)23-20(15-26(13-8-14-26)16-21(23)35)33(25(27)37)18-9-4-2-5-10-18/h2-7,9-12,32H,8,13-16H2,1H3
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| InChIKey |
DVUAYTZAKOHYQP-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