General Information of the Compound
| Compound ID |
CP0374186
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| Compound Name |
(1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(benzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide
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| Structure |
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| Formula |
C32H39F2N3O3
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| Molecular Weight |
551.678
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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)CNCc1ccccc1
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| InChI |
InChI=1S/C32H39F2N3O3/c1-4-11-37(12-5-2)32(40)26-14-22(3)13-25(18-26)31(39)36-29(17-24-15-27(33)19-28(34)16-24)30(38)21-35-20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-30,35,38H,4-5,11-12,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1
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| InChIKey |
BBFRLBGJFFIVOR-XZWHSSHBSA-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