General Information of the Compound
| Compound ID |
CP0418132
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| Compound Name |
CHEMBL558163
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| Formula |
C36H47N5O2
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| Molecular Weight |
581.805
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCN(C)CCc2c[nH]c3ccccc23)c1=O
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| InChI |
InChI=1S/C36H47N5O2/c1-25(2)41-34-14-8-5-11-26(34)21-32(36(41)43)35(42)38-28-22-29-15-16-30(23-28)40(29)19-10-4-9-18-39(3)20-17-27-24-37-33-13-7-6-12-31(27)33/h5-8,11-14,21,24-25,28-30,37H,4,9-10,15-20,22-23H2,1-3H3,(H,38,42)/t28-,29+,30-
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| InChIKey |
MGVZVGPAKQTLIX-RLPLKTQASA-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