General Information of the Compound
| Compound ID |
CP0556712
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| Compound Name |
US9428456, 1.093
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| Structure |
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| Formula |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cnc4cc[nH]c4c3)c2)CC1
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| InChI |
InChI=1S/C27H33N5O2/c33-26(30-22-6-2-1-3-7-22)20-10-13-32(14-11-20)18-19-5-4-8-23(15-19)31-27(34)21-16-25-24(29-17-21)9-12-28-25/h4-5,8-9,12,15-17,20,22,28H,1-3,6-7,10-11,13-14,18H2,(H,30,33)(H,31,34)
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| InChIKey |
BPPRWALAPUCYRT-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