General Information of the Compound
| Compound ID |
CP0531872
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| Compound Name |
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-1-cyclopropylimidazole-4-carboxamide
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| Structure |
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| Formula |
C23H30N6O4S
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| Molecular Weight |
486.598
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| Canonical SMILES |
O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cn(cn1)C1CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H30N6O4S/c30-22(26-16-5-4-10-24-11-16)19-12-29(34(32,33)18-6-2-1-3-7-18)14-20(19)27-23(31)21-13-28(15-25-21)17-8-9-17/h1-3,6-7,13,15-17,19-20,24H,4-5,8-12,14H2,(H,26,30)(H,27,31)/t16-,19-,20-/m0/s1
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| InChIKey |
NNWGKCGIHQBGOF-VDGAXYAQSA-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