General Information of the Compound
| Compound ID |
CP0513703
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| Compound Name |
2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetic acid
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| Structure |
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| Formula |
C22H32N6O4
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| Molecular Weight |
444.536
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| Canonical SMILES |
NC(=N)Nc1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C22H32N6O4/c23-22(24)27-16-8-6-14(7-9-16)12-26-20(31)17-10-11-28(17)21(32)19(25-13-18(29)30)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H,26,31)(H,29,30)(H4,23,24,27)/t17-,19+/m0/s1
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| InChIKey |
FNQUEHLUBKLFDF-PKOBYXMFSA-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