General Information of the Compound
| Compound ID |
CP0397977
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| Compound Name |
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C19H32N6O
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| Molecular Weight |
360.506
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| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)NCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H32N6O/c20-17(7-4-10-23-19(21)22)18(26)24-13-15-8-11-25(12-9-15)14-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14,20H2,(H,24,26)(H4,21,22,23)/t17-/m0/s1
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| InChIKey |
SVNJDXGZPPWKTK-KRWDZBQOSA-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