General Information of the Compound
| Compound ID |
CP0926606
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| Compound Name |
SID144188466
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| Structure |
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| Formula |
C29H29N3O4
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| Molecular Weight |
483.568
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| Canonical SMILES |
COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(/C=C/c5ccccc5)cc4)[C@@H]3C2)cc1
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| InChI |
InChI=1S/C29H29N3O4/c1-36-24-15-13-23(14-16-24)30-29(35)31-17-25-28(26(19-33)32(25)27(34)18-31)22-11-9-21(10-12-22)8-7-20-5-3-2-4-6-20/h2-16,25-26,28,33H,17-19H2,1H3,(H,30,35)/b8-7+/t25-,26-,28-/m0/s1
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| InChIKey |
NUNOLATUTKCNJB-AAIMMGKCSA-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