General Information of the Compound
| Compound ID |
CP0170290
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| Compound Name |
2-[4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indol-1-yl]phenyl]acetic acid
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| Structure |
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| Formula |
C26H29ClN4O3
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| Molecular Weight |
480.996
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| Canonical SMILES |
OC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C26H29ClN4O3/c27-20-3-6-24-22(16-20)23(17-31(24)21-4-1-18(2-5-21)15-25(32)33)19-7-10-29(11-8-19)13-14-30-12-9-28-26(30)34/h1-6,16-17,19H,7-15H2,(H,28,34)(H,32,33)
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| InChIKey |
BXSHMKJGVLLOJW-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