General Information of the Compound
| Compound ID |
CP0875015
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| Compound Name |
SID131452382
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| Structure |
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| Formula |
C29H34ClN3O5
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| Molecular Weight |
540.06
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| Canonical SMILES |
CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCCC3)CC[C@@H]21
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| InChI |
InChI=1S/C29H34ClN3O5/c1-33-24-12-11-22(16-27(34)31-20-8-3-2-4-9-20)38-26(24)17-37-25-13-10-21(15-23(25)29(33)36)32-28(35)18-6-5-7-19(30)14-18/h5-7,10,13-15,20,22,24,26H,2-4,8-9,11-12,16-17H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26-/m0/s1
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| InChIKey |
CATJTZQKHBMATR-GVUKDKGQSA-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