General Information of the Compound
| Compound ID |
CP0296009
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| Compound Name |
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-(2-hydroxyethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H43F2N3O5
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| Molecular Weight |
611.73
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(CCO)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
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| InChI |
InChI=1S/C34H43F2N3O5/c1-4-10-39(11-5-2)34(43)27-14-23(9-12-40)13-26(19-27)33(42)38-31(18-25-15-28(35)20-29(36)16-25)32(41)22-37-21-24-7-6-8-30(17-24)44-3/h6-8,13-17,19-20,31-32,37,40-41H,4-5,9-12,18,21-22H2,1-3H3,(H,38,42)/t31-,32+/m0/s1
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| InChIKey |
HYIFLHYYKUNIJV-AJQTZOPKSA-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