General Information of the Compound
| Compound ID |
CP0446343
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| Compound Name |
(1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(1-isobutylcarbamoyl-1-methyl-ethylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide
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| Structure |
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| Formula |
C33H48F2N4O4
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| Molecular Weight |
602.767
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C
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| InChI |
InChI=1S/C33H48F2N4O4/c1-8-10-39(11-9-2)31(42)25-13-22(5)12-24(17-25)30(41)38-28(16-23-14-26(34)18-27(35)15-23)29(40)20-37-33(6,7)32(43)36-19-21(3)4/h12-15,17-18,21,28-29,37,40H,8-11,16,19-20H2,1-7H3,(H,36,43)(H,38,41)/t28-,29+/m0/s1
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| InChIKey |
USWOYPKVOXJJPM-URLMMPGGSA-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