General Information of the Compound
| Compound ID |
CP0150411
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| Compound Name |
4,4'-((5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7,9-diyl)dibenzonitrile
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| Structure |
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| Formula |
C27H19Cl2N5O2
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| Molecular Weight |
516.388
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| Canonical SMILES |
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C27H19Cl2N5O2/c1-32-26(36)34(23-11-20(28)10-21(29)12-23)25(35)27(32)16-33(22-8-4-18(14-31)5-9-22)15-24(27)19-6-2-17(13-30)3-7-19/h2-12,24H,15-16H2,1H3/t24-,27+/m0/s1
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| InChIKey |
PJQSUTYJMHQWEE-RPLLCQBOSA-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