General Information of the Compound
| Compound ID |
CP0266433
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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-hydroxypropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C35H45F2N3O5
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| Molecular Weight |
625.757
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(CC(C)O)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/C35H45F2N3O5/c1-5-10-40(11-6-2)35(44)28-14-25(12-23(3)41)13-27(19-28)34(43)39-32(18-26-15-29(36)20-30(37)16-26)33(42)22-38-21-24-8-7-9-31(17-24)45-4/h7-9,13-17,19-20,23,32-33,38,41-42H,5-6,10-12,18,21-22H2,1-4H3,(H,39,43)/t23?,32-,33+/m0/s1
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| InChIKey |
ZJYJGAFCAQRJNY-OABUWRMSSA-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