General Information of the Compound
| Compound ID |
CP0297101
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| Compound Name |
methyl 2-[4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indol-1-yl]phenyl]acetate
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| Structure |
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| Formula |
C27H31ClN4O3
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| Molecular Weight |
495.023
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| Canonical SMILES |
COC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C27H31ClN4O3/c1-35-26(33)16-19-2-5-22(6-3-19)32-18-24(23-17-21(28)4-7-25(23)32)20-8-11-30(12-9-20)14-15-31-13-10-29-27(31)34/h2-7,17-18,20H,8-16H2,1H3,(H,29,34)
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| InChIKey |
IKIDYUZRZURTHB-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