General Information of the Compound
| Compound ID |
CP0542019
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| Compound Name |
US8846929, 49
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| Structure |
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| Formula |
C28H41N5O2
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| Molecular Weight |
479.669
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| Canonical SMILES |
CC(=O)N1CCC(CC1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C28H41N5O2/c1-21(34)31-17-13-22(14-18-31)29-27-28(35)33(26-12-8-7-11-25(26)30-27)24-15-19-32(20-16-24)23-9-5-3-2-4-6-10-23/h7-8,11-12,22-24H,2-6,9-10,13-20H2,1H3,(H,29,30)
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| InChIKey |
CSPSOHAPOHZENW-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