General Information of the Compound
| Compound ID |
CP0568639
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[11-(diaminomethylideneamino)undecanoylamino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C32H52ClN7O3
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| Molecular Weight |
618.267
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| Canonical SMILES |
NC(=N)NCCCCCCCCCCC(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H52ClN7O3/c33-25-13-15-26(16-14-25)38-29(42)30(43)39-27-17-22-40(32(24-27)18-9-7-10-19-32)23-21-36-28(41)12-8-5-3-1-2-4-6-11-20-37-31(34)35/h13-16,27H,1-12,17-24H2,(H,36,41)(H,38,42)(H,39,43)(H4,34,35,37)
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| InChIKey |
XEHCUDHXLSGAHG-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