General Information of the Compound
| Compound ID |
CP0430302
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| Compound Name |
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C23H30N6O4
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| Molecular Weight |
454.531
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| Canonical SMILES |
COc1cccc(c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C23H30N6O4/c1-33-17-10-5-9-16(14-17)21(31)28-18(11-6-12-27-23(25)26)22(32)29-19(20(24)30)13-15-7-3-2-4-8-15/h2-5,7-10,14,18-19H,6,11-13H2,1H3,(H2,24,30)(H,28,31)(H,29,32)(H4,25,26,27)/t18-,19-/m0/s1
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| InChIKey |
ZTAYITNDDNUUNE-OALUTQOASA-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
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2