General Information of the Compound
| Compound ID |
CP0568689
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-(pyrrolidine-3-carbonyl)piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C30H40FN3O4
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| Molecular Weight |
525.665
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)C1CCNC1
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| InChI |
InChI=1S/C30H40FN3O4/c1-3-21-8-4-9-22(18-21)27-25(11-5-12-26(27)31)30(37,14-7-15-33-29(36)38-2)24-10-6-17-34(20-24)28(35)23-13-16-32-19-23/h4-5,8-9,11-12,18,23-24,32,37H,3,6-7,10,13-17,19-20H2,1-2H3,(H,33,36)/t23?,24-,30?/m1/s1
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| InChIKey |
OXDIFELKPGOSBU-OLYGOTPTSA-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