General Information of the Compound
| Compound ID |
CP0399505
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| Compound Name |
N-[3-[4-[[1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C35H35FN4O5S
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| Molecular Weight |
642.753
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(NS(C)(=O)=O)c3)CC2)C1=O
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| InChI |
InChI=1S/C35H35FN4O5S/c1-45-31-11-6-10-30(22-31)40-33(41)35(39(34(40)42)24-28-7-3-4-12-32(28)36)17-19-38(20-18-35)23-25-13-15-26(16-14-25)27-8-5-9-29(21-27)37-46(2,43)44/h3-16,21-22,37H,17-20,23-24H2,1-2H3
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| InChIKey |
PTBVZWLQUNTUCO-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