General Information of the Compound
Compound ID |
CP0492233
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Compound Name |
(3S)-2-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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Structure |
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Formula |
C30H40N8O4
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Molecular Weight |
576.702
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Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
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InChI |
InChI=1S/C30H40N8O4/c31-26(39)25-17-20-10-4-5-11-21(20)18-38(25)29(42)23(13-7-15-35-30(32)33)36-28(41)24(16-19-8-2-1-3-9-19)37-27(40)22-12-6-14-34-22/h1-5,8-11,22-25,34H,6-7,12-18H2,(H2,31,39)(H,36,41)(H,37,40)(H4,32,33,35)/t22-,23-,24-,25-/m0/s1
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InChIKey |
WZKUPZOZUGSSGT-QORCZRPOSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT05783, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2