General Information of the Compound
| Compound ID |
CP0447250
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| Compound Name |
(2S)-2-(3,3-diphenylpropanoylamino)-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H33N3O4
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| Molecular Weight |
523.633
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H33N3O4/c36-31(23-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)35-29(32(37)38)22-24-15-17-27(18-16-24)39-21-9-20-34-30-14-7-8-19-33-30/h1-8,10-19,28-29H,9,20-23H2,(H,33,34)(H,35,36)(H,37,38)/t29-/m0/s1
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| InChIKey |
SQXBUEPZSJJBJQ-LJAQVGFWSA-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