General Information of the Compound
| Compound ID |
CP0522177
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| Compound Name |
3-[[4-[2-[1-[(4-tert-butylphenyl)methyl]-5-chloroindole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H39ClN2O4
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| Molecular Weight |
587.16
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C35H39ClN2O4/c1-5-6-26(19-23-7-11-25(12-8-23)34(42)37-18-17-32(39)40)33(41)31-21-27-20-29(36)15-16-30(27)38(31)22-24-9-13-28(14-10-24)35(2,3)4/h7-16,20-21,26H,5-6,17-19,22H2,1-4H3,(H,37,42)(H,39,40)
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| InChIKey |
JBBBCEIFHAHVTJ-UHFFFAOYSA-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