General Information of the Compound
| Compound ID |
CP0460132
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| Compound Name |
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-[2-[3-(3,4-dimethoxyphenyl)-4-oxoimidazolidin-1-yl]acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C30H31F6N5O6
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| Molecular Weight |
671.595
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| Canonical SMILES |
COc1ccc(cc1OC)N1CN(CC(=O)N2CCC3(CC2)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C)C3=O)CC1=O
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| InChI |
InChI=1S/C30H31F6N5O6/c1-37-26(44)28(41(27(37)45)14-18-10-19(29(31,32)33)12-20(11-18)30(34,35)36)6-8-39(9-7-28)24(42)15-38-16-25(43)40(17-38)21-4-5-22(46-2)23(13-21)47-3/h4-5,10-13H,6-9,14-17H2,1-3H3
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| InChIKey |
LLDXCQQWICNMIB-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