General Information of the Compound
| Compound ID |
CP0500452
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| Compound Name |
US9181182, 58
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| Structure |
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| Formula |
C27H34N4O5
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| Molecular Weight |
494.592
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| Canonical SMILES |
CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(cc1)C1=CCN(CC(N)(CO)CO)CC1
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| InChI |
InChI=1S/C27H34N4O5/c1-3-34-23-10-9-22(15-24(23)35-4-2)26-29-25(30-36-26)21-7-5-19(6-8-21)20-11-13-31(14-12-20)16-27(28,17-32)18-33/h5-11,15,32-33H,3-4,12-14,16-18,28H2,1-2H3
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| InChIKey |
AQRHEFWHYGYROC-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