General Information of the Compound
| Compound ID |
CP0566406
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| Compound Name |
2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H25N5O3
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| Molecular Weight |
467.529
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| Canonical SMILES |
OC(=O)Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc21)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C27H25N5O3/c33-25(34)18-31-14-11-28-24(31)17-30-12-9-27(10-13-30)21-6-2-4-8-23(21)32(26(27)35)20-15-19-5-1-3-7-22(19)29-16-20/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,33,34)
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| InChIKey |
DLIJENPGOQXTCQ-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