General Information of the Compound
| Compound ID |
CP0544762
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| Compound Name |
US8637502, 78
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| Structure |
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| Formula |
C27H36N4O3
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| Molecular Weight |
464.61
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| Canonical SMILES |
O=C(N1CCCCC1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O
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| InChI |
InChI=1S/C27H36N4O3/c32-25-27(34)31(24-14-8-7-13-22(24)28-25)23-15-18-30(20-11-5-2-1-3-6-12-20)19-21(23)26(33)29-16-9-4-10-17-29/h7-8,13-14,20H,1-6,9-12,15-19H2,(H,28,32)
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| InChIKey |
PUUMOZVITLFRIQ-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