General Information of the Compound
| Compound ID |
CP0376473
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| Compound Name |
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyrimidin-5-ylbenzoyl)amino]methyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C31H31N3O4
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| Molecular Weight |
509.606
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1cncnc1
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| InChI |
InChI=1S/C31H31N3O4/c1-2-14-38-29-13-8-23(16-26(31(36)37)15-22-6-4-3-5-7-22)17-27(29)20-34-30(35)25-11-9-24(10-12-25)28-18-32-21-33-19-28/h3-13,17-19,21,26H,2,14-16,20H2,1H3,(H,34,35)(H,36,37)/t26-/m1/s1
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| InChIKey |
ITYBCMRFJIYOET-AREMUKBSSA-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