General Information of the Compound
| Compound ID |
CP0577354
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| Compound Name |
US9428456, 1.040
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| Structure |
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| Formula |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cnc[nH]3)c2)CC1
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| InChI |
InChI=1S/C23H31N5O2/c29-22(26-19-6-2-1-3-7-19)18-9-11-28(12-10-18)15-17-5-4-8-20(13-17)27-23(30)21-14-24-16-25-21/h4-5,8,13-14,16,18-19H,1-3,6-7,9-12,15H2,(H,24,25)(H,26,29)(H,27,30)
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| InChIKey |
JJEUHNHDTNRQMC-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