General Information of the Compound
| Compound ID |
CP0389010
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| Compound Name |
(2S)-2-amino-N-[(4-anilino-1-methylpiperidin-4-yl)methyl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C19H33N7O
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| Molecular Weight |
375.521
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| Canonical SMILES |
CN1CCC(CNC(=O)[C@@H](N)CCCNC(N)=N)(CC1)Nc1ccccc1
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| InChI |
InChI=1S/C19H33N7O/c1-26-12-9-19(10-13-26,25-15-6-3-2-4-7-15)14-24-17(27)16(20)8-5-11-23-18(21)22/h2-4,6-7,16,25H,5,8-14,20H2,1H3,(H,24,27)(H4,21,22,23)/t16-/m0/s1
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| InChIKey |
ALXATRYNMFDYIV-INIZCTEOSA-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