General Information of the Compound
| Compound ID |
CP0496670
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| Compound Name |
N-[(2S)-1-(8-aminooctylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
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| Structure |
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| Formula |
C21H35N3O3
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| Molecular Weight |
377.529
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| Canonical SMILES |
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
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| InChI |
InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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| InChIKey |
YKBFJHZDRYDDLG-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