General Information of the Compound
| Compound ID |
CP0555569
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| Compound Name |
US9428456, 1.003
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccnc3)c2)CC1
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| InChI |
InChI=1S/C25H32N4O2/c30-24(27-22-8-2-1-3-9-22)20-11-14-29(15-12-20)18-19-6-4-10-23(16-19)28-25(31)21-7-5-13-26-17-21/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15,18H2,(H,27,30)(H,28,31)
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| InChIKey |
BWDCZCZCLMZHCR-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