General Information of the Compound
| Compound ID |
CP0564620
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| Compound Name |
CHEMBL5202191
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| Formula |
C35H44FN3O4
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| Molecular Weight |
589.752
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| Canonical SMILES |
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](C)(O)C3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
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| InChI |
InChI=1S/C35H44FN3O4/c1-31(2,36)30-37-29(38-43-30)35-16-13-34(14-17-35,15-18-35)22-39(28(40)25-20-33(5,42)21-25)27-8-6-7-24(19-27)23-9-11-26(12-10-23)32(3,4)41/h6-12,19,25,41-42H,13-18,20-22H2,1-5H3/t25-,33+,34?,35?
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| InChIKey |
MYKBYRIJFGEXHC-BYXIYGGRSA-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