General Information of the Compound
| Compound ID |
CP0306020
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| Compound Name |
4-(5-Chloro-3-{1-[2-(2-oxo-imidazolidin-1-yl)-ethyl]-piperidin-4-yl}-indol-1-yl)-benzoic acid methyl ester
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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 |
COC(=O)c1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C26H29ClN4O3/c1-34-25(32)19-2-5-21(6-3-19)31-17-23(22-16-20(27)4-7-24(22)31)18-8-11-29(12-9-18)14-15-30-13-10-28-26(30)33/h2-7,16-18H,8-15H2,1H3,(H,28,33)
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| InChIKey |
WQAXQECJUSMGPP-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