General Information of the Compound
| Compound ID |
CP0487528
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| Compound Name |
N-[(2S)-1-(9-aminononylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
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| Structure |
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| Formula |
C22H37N3O3
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| Molecular Weight |
391.556
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| Canonical SMILES |
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN
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| InChI |
InChI=1S/C22H37N3O3/c1-2-10-21(27)25-20(17-18-11-13-19(26)14-12-18)22(28)24-16-9-7-5-3-4-6-8-15-23/h11-14,20,26H,2-10,15-17,23H2,1H3,(H,24,28)(H,25,27)/t20-/m0/s1
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| InChIKey |
HMTHRCVPIDPOKE-FQEVSTJZSA-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