General Information of the Compound
| Compound ID |
CP0412895
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| Compound Name |
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C24H29N7O3
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| Molecular Weight |
463.542
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C24H29N7O3/c25-21(32)20(13-15-5-2-1-3-6-15)31-23(34)18(7-4-11-29-24(26)27)30-22(33)17-9-8-16-10-12-28-19(16)14-17/h1-3,5-6,8-10,12,14,18,20,28H,4,7,11,13H2,(H2,25,32)(H,30,33)(H,31,34)(H4,26,27,29)/t18-,20-/m0/s1
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| InChIKey |
ZSSSDFBULLPCJZ-ICSRJNTNSA-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