General Information of the Compound
| Compound ID |
CP0494518
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C33H35F2N5O4
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| Molecular Weight |
603.67
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| Canonical SMILES |
Cc1c(N2CCN(CC3COc4ccccc4O3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C33H35F2N5O4/c1-22-31(38-16-14-37(15-17-38)18-24-21-43-29-12-5-6-13-30(29)44-24)32(41)40(20-28(36)23-8-3-2-4-9-23)33(42)39(22)19-25-26(34)10-7-11-27(25)35/h2-13,24,28H,14-21,36H2,1H3/t24?,28-/m0/s1
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| InChIKey |
GDRJFVYUJABCEI-AZKKKJBWSA-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