General Information of the Compound
| Compound ID |
CP0463161
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| Compound Name |
5-chloro-4'-(2,4-dioxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C27H23ClN4O2
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| Molecular Weight |
470.96
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| Canonical SMILES |
Clc1cc(cc(c1)-c1ccc(CN2CCC3(CC2)N(C(=O)NC3=O)c2ccccc2)cc1)C#N
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| InChI |
InChI=1S/C27H23ClN4O2/c28-23-15-20(17-29)14-22(16-23)21-8-6-19(7-9-21)18-31-12-10-27(11-13-31)25(33)30-26(34)32(27)24-4-2-1-3-5-24/h1-9,14-16H,10-13,18H2,(H,30,33,34)
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| InChIKey |
WTLYLECSPNWKCS-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