General Information of the Compound
| Compound ID |
CP0389013
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| Compound Name |
(2S)-2-amino-N-[(4-anilino-1-benzylpiperidin-4-yl)methyl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C25H37N7O
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| Molecular Weight |
451.619
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| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
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| InChI |
InChI=1S/C25H37N7O/c26-22(12-7-15-29-24(27)28)23(33)30-19-25(31-21-10-5-2-6-11-21)13-16-32(17-14-25)18-20-8-3-1-4-9-20/h1-6,8-11,22,31H,7,12-19,26H2,(H,30,33)(H4,27,28,29)/t22-/m0/s1
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| InChIKey |
ZMCMZCLBPMDLQR-QFIPXVFZSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2