General Information of the Compound
| Compound ID |
CP0002597
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| Compound Name |
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
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| Synonyms |
115976-93-7
A-butanoyl-l-tyrosinamide
AC1L4M0L
AC1Q5PFY
BDBM50094298
Benzenepropanamide, N-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)-, (S)-
C13806
CHEBI:34920
CHEMBL16117
N-[1-{3-[4-(3-Amino-propylamino)-butylamino]-propylcarbamoyl}-2-(4-hydroxy-phenyl)-ethyl]-butyramide
Philanthotoxin 343
Philanthotoxin-343
Phtx 343
SCHEMBL8391460
n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-n
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| Structure |
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| Formula |
C23H41N5O3
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| Molecular Weight |
435.613
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| Canonical SMILES |
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
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| InChI |
InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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| InChIKey |
DTWANULJDRVTFI-NRFANRHFSA-N
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| CAS |
115976-93-7
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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
Clinical Information about the Compound