General Information of the Compound
| Compound ID |
CP0458141
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| Compound Name |
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C31H40N4O6
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| Molecular Weight |
564.683
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C31H40N4O6/c1-3-20(2)26(29(38)35-17-14-31(15-18-35)23-12-8-7-11-22(23)30(39)40-31)34-27(36)24(19-21-9-5-4-6-10-21)33-28(37)25-13-16-32-41-25/h7-8,11-13,16,20-21,24,26H,3-6,9-10,14-15,17-19H2,1-2H3,(H,33,37)(H,34,36)/t20-,24-,26-/m0/s1
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| InChIKey |
NJTUTEKALBMODJ-RJWMVNQGSA-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