General Information of the Compound
| Compound ID |
CP0554111
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| Compound Name |
US9428456, 1.006
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| Structure |
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| Formula |
C24H31N5O2
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| Molecular Weight |
421.545
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccncn3)c2)CC1
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| InChI |
InChI=1S/C24H31N5O2/c30-23(27-20-6-2-1-3-7-20)19-10-13-29(14-11-19)16-18-5-4-8-21(15-18)28-24(31)22-9-12-25-17-26-22/h4-5,8-9,12,15,17,19-20H,1-3,6-7,10-11,13-14,16H2,(H,27,30)(H,28,31)
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| InChIKey |
NVNKUVYLYMOOAF-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