General Information of the Compound
| Compound ID |
CP0561948
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| Compound Name |
2-cyclopropyl-N-[5-[[(1S,3S)-3-hydroxycyclohexyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C31H37N5O4
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| Molecular Weight |
543.668
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)c1ccc(cc1NC(=O)c1coc(n1)C1CC1)C(=O)N[C@H]1CCC[C@H](O)C1
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| InChI |
InChI=1S/C31H37N5O4/c1-20-5-2-3-8-27(20)35-13-15-36(16-14-35)28-12-11-22(29(38)32-23-6-4-7-24(37)18-23)17-25(28)33-30(39)26-19-40-31(34-26)21-9-10-21/h2-3,5,8,11-12,17,19,21,23-24,37H,4,6-7,9-10,13-16,18H2,1H3,(H,32,38)(H,33,39)/t23-,24-/m0/s1
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| InChIKey |
ROUHJDSXZMCIMV-ZEQRLZLVSA-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