General Information of the Compound
Compound ID |
CP0515168
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Compound Name |
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-8-(naphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Structure |
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Formula |
C28H23F6N3O3
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Molecular Weight |
563.498
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Canonical SMILES |
CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O
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InChI |
InChI=1S/C28H23F6N3O3/c1-35-24(39)26(9-11-36(12-10-26)23(38)22-8-4-6-18-5-2-3-7-21(18)22)37(25(35)40)16-17-13-19(27(29,30)31)15-20(14-17)28(32,33)34/h2-8,13-15H,9-12,16H2,1H3
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InChIKey |
ZUXQUMYFXGYDFL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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