General Information of the Compound
| Compound ID |
CP0532902
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H28F7N7O3
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| Molecular Weight |
655.575
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| Canonical SMILES |
Cc1c(N2CCN(Cc3nnc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C29H28F7N7O3/c1-17-24(41-12-10-40(11-13-41)16-23-38-39-26(46-23)29(34,35)36)25(44)43(15-22(37)18-6-3-2-4-7-18)27(45)42(17)14-19-20(28(31,32)33)8-5-9-21(19)30/h2-9,22H,10-16,37H2,1H3/t22-/m0/s1
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| InChIKey |
GQHRYQMORJVCQP-QFIPXVFZSA-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