General Information of the Compound
| Compound ID |
CP0495984
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| Compound Name |
CHEMBL374022
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| Formula |
C28H35Cl2N3O4
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| Molecular Weight |
548.511
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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)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H35Cl2N3O4/c1-28(2,3)20-8-10-24(11-9-20)33(27(37)32-23-15-21(29)14-22(30)16-23)17-18-4-6-19(7-5-18)26(36)31-13-12-25(34)35/h4-7,14-16,20,24H,8-13,17H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)/t20-,24-
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| InChIKey |
SDLURPMEMTWRMN-LSNLESRRSA-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