General Information of the Compound
| Compound ID |
CP0554718
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| Compound Name |
N-[2-[4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanoylamino]ethyl]-4-(2-methoxyphenyl)butanamide
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| Structure |
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| Formula |
C29H43N3O5
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| Molecular Weight |
513.679
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| Canonical SMILES |
COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C29H43N3O5/c1-22(2)32-20-25(33)21-37-27-15-7-5-11-24(27)13-9-17-29(35)31-19-18-30-28(34)16-8-12-23-10-4-6-14-26(23)36-3/h4-7,10-11,14-15,22,25,32-33H,8-9,12-13,16-21H2,1-3H3,(H,30,34)(H,31,35)/t25-/m0/s1
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| InChIKey |
AWAWTXAIDXZJMM-VWLOTQADSA-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