General Information of the Compound
| Compound ID |
CP0559019
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| Compound Name |
2-cyclopropyl-N-[5-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C31H37N5O5
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| Molecular Weight |
559.667
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)c1ccc(cc1NC(=O)c1coc(n1)C1CC1)C(=O)N[C@@H]1CCC[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C31H37N5O5/c1-19-5-2-3-7-25(19)35-13-15-36(16-14-35)26-12-11-21(29(39)32-22-6-4-8-27(37)28(22)38)17-23(26)33-30(40)24-18-41-31(34-24)20-9-10-20/h2-3,5,7,11-12,17-18,20,22,27-28,37-38H,4,6,8-10,13-16H2,1H3,(H,32,39)(H,33,40)/t22-,27-,28+/m1/s1
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| InChIKey |
SJZBSXDFXPRCNE-OFEZKSIWSA-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