General Information of the Compound
| Compound ID |
CP0498748
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| Compound Name |
(2S)-2-[[1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H42N2O5
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| Molecular Weight |
486.653
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)C(O)=O
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| InChI |
InChI=1S/C28H42N2O5/c1-9-28(10-2,20-12-14-22(18(4)16-20)35-17-24(31)27(6,7)8)23-15-13-21(30(23)11-3)25(32)29-19(5)26(33)34/h12-16,19,24,31H,9-11,17H2,1-8H3,(H,29,32)(H,33,34)/t19-,24?/m0/s1
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| InChIKey |
KIMUKYBVHKUPAI-XGLRFROISA-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