General Information of the Compound
| Compound ID |
CP0405457
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| Compound Name |
N-[(2S)-1-(7-aminoheptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
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| Structure |
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| Formula |
C20H33N3O3
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| Molecular Weight |
363.502
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| Canonical SMILES |
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
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| InChI |
InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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| InChIKey |
XKOIBCCSEZNHCT-SFHVURJKSA-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