General Information of the Compound
| Compound ID |
CP0554097
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| Compound Name |
US9428456, 1.149
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| Structure |
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
O=C(Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1)C1CC1
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| InChI |
InChI=1S/C23H33N3O2/c27-22(18-9-10-18)25-21-8-4-5-17(15-21)16-26-13-11-19(12-14-26)23(28)24-20-6-2-1-3-7-20/h4-5,8,15,18-20H,1-3,6-7,9-14,16H2,(H,24,28)(H,25,27)
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| InChIKey |
ANAKEUROGJMVBU-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