General Information of the Compound
| Compound ID |
CP0227236
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| Compound Name |
US8957093, 110
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| Structure |
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| Formula |
C32H27N3O5
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| Molecular Weight |
533.584
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| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C32H27N3O5/c1-20-21(2)34(19-22-10-12-24(13-11-22)27-8-3-4-9-28(27)32(37)38)30-15-14-25(17-29(20)30)31(36)33-18-23-6-5-7-26(16-23)35(39)40/h3-17H,18-19H2,1-2H3,(H,33,36)(H,37,38)
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| InChIKey |
LLKNYGBLYXCNAE-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