General Information of the Compound
| Compound ID |
CP0532904
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-(1,2-benzoxazol-7-ylmethyl)piperazin-1-yl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C33H32F4N6O3
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| Molecular Weight |
636.65
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc4cnoc34)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C33H32F4N6O3/c1-21-29(41-15-13-40(14-16-41)18-24-10-5-9-23-17-39-46-30(23)24)31(44)43(20-28(38)22-7-3-2-4-8-22)32(45)42(21)19-25-26(33(35,36)37)11-6-12-27(25)34/h2-12,17,28H,13-16,18-20,38H2,1H3/t28-/m0/s1
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| InChIKey |
IRVCWKXAYABBBQ-NDEPHWFRSA-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