General Information of the Compound
| Compound ID |
CP0528569
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| Compound Name |
CHEMBL373541
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| Formula |
C32H43N3O5
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| Molecular Weight |
549.712
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OCC2CC2)cc1
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| InChI |
InChI=1S/C32H43N3O5/c1-32(2,3)25-10-14-27(15-11-25)35(20-22-6-8-24(9-7-22)30(38)33-19-18-29(36)37)31(39)34-26-12-16-28(17-13-26)40-21-23-4-5-23/h6-9,12-13,16-17,23,25,27H,4-5,10-11,14-15,18-21H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t25-,27-
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| InChIKey |
HKOXHKCKMQVRRP-DUYHBEBVSA-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