General Information of the Compound
| Compound ID |
CP0508123
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| Compound Name |
N-[2-[4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanoylamino]ethyl]-4-phenylbutanamide
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| Structure |
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| Formula |
C28H41N3O4
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| Molecular Weight |
483.653
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1
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| InChI |
InChI=1S/C28H41N3O4/c1-22(2)31-20-25(32)21-35-26-15-7-6-13-24(26)14-9-17-28(34)30-19-18-29-27(33)16-8-12-23-10-4-3-5-11-23/h3-7,10-11,13,15,22,25,31-32H,8-9,12,14,16-21H2,1-2H3,(H,29,33)(H,30,34)/t25-/m0/s1
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| InChIKey |
VDCQVPMVSIZVRR-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