General Information of the Compound
| Compound ID |
CP0404966
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| Compound Name |
(2R)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-(4-fluorophenyl)propanamide
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| Structure |
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| Formula |
C20H31FN6O2
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| Molecular Weight |
406.506
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| Canonical SMILES |
N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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| InChIKey |
KMLBTGNKLNCZLC-SJORKVTESA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor