General Information of the Compound
| Compound ID |
CP0382053
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| Compound Name |
CHEMBL3237893
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| Formula |
C29H35N3O4
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| Molecular Weight |
489.616
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C29H35N3O4/c1-28(2,3)23-13-16-29(17-14-23)31-25(21-7-5-4-6-8-21)27(36)32(29)19-20-9-11-22(12-10-20)26(35)30-18-15-24(33)34/h4-12,23H,13-19H2,1-3H3,(H,30,35)(H,33,34)/t23-,29-
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| InChIKey |
MMHFHXDUOBOVSW-CBHYQUCXSA-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