General Information of the Compound
| Compound ID |
CP0567261
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| Compound Name |
3-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazol-4-yl]propanoic acid
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| Structure |
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| Formula |
C27H34N2O5
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| Molecular Weight |
466.578
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccccc1)Cn1cc(CCC(O)=O)cn1
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| InChI |
InChI=1S/C27H34N2O5/c1-19-24(33-2)14-23(15-25(19)34-3)27(32)22(11-7-10-20-8-5-4-6-9-20)18-29-17-21(16-28-29)12-13-26(30)31/h4-6,8-9,14-17,22,27,32H,7,10-13,18H2,1-3H3,(H,30,31)/t22-,27-/m0/s1
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| InChIKey |
GFTRANYXADGSCQ-CUNXSJBXSA-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