General Information of the Compound
| Compound ID |
CP0517574
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| Compound Name |
N-[(2S)-1-[(1S)-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C23H28N4O4
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| Molecular Weight |
424.501
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| Canonical SMILES |
NC(=O)[C@H]1N(CCc2ccccc12)C(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1
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| InChI |
InChI=1S/C23H28N4O4/c24-21(28)20-17-9-5-4-8-16(17)11-13-27(20)23(30)18(14-15-6-2-1-3-7-15)26-22(29)19-10-12-25-31-19/h4-5,8-10,12,15,18,20H,1-3,6-7,11,13-14H2,(H2,24,28)(H,26,29)/t18-,20-/m0/s1
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| InChIKey |
SLWVDPCBVAAQJD-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