General Information of the Compound
| Compound ID |
CP0535795
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| Compound Name |
N-[2-(butanoylamino)ethyl]-4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
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| Structure |
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| Formula |
C22H37N3O4
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| Molecular Weight |
407.555
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| Canonical SMILES |
CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C22H37N3O4/c1-4-8-21(27)23-13-14-24-22(28)12-7-10-18-9-5-6-11-20(18)29-16-19(26)15-25-17(2)3/h5-6,9,11,17,19,25-26H,4,7-8,10,12-16H2,1-3H3,(H,23,27)(H,24,28)/t19-/m0/s1
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| InChIKey |
HDOJMOVNRKPOTJ-IBGZPJMESA-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