General Information of the Compound
| Compound ID |
CP0576758
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| Compound Name |
(2R,4S)-4-hydroxy-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C25H28N4O4/c1-33-18-9-7-16(8-10-18)25(11-2-3-12-25)24(32)29-15-17(30)13-22(29)23(31)27-20-5-4-6-21-19(20)14-26-28-21/h4-10,14,17,22,30H,2-3,11-13,15H2,1H3,(H,26,28)(H,27,31)/t17-,22+/m0/s1
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| InChIKey |
UQKNCQXHKZNFDX-HTAPYJJXSA-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