General Information of the Compound
| Compound ID |
CP0291695
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| Compound Name |
N-cyclohexyl-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C27H37N3O7S
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| Molecular Weight |
547.674
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)N(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)C1CCCCC1
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| InChI |
InChI=1S/C27H37N3O7S/c1-18-26(19(2)37-28-18)38(34,35)30(20-7-4-3-5-8-20)16-22(32)15-29-12-6-11-27(17-29)14-24(33)23-13-21(31)9-10-25(23)36-27/h9-10,13,20,22,31-32H,3-8,11-12,14-17H2,1-2H3/t22-,27?/m0/s1
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| InChIKey |
XMCAETDASGAZSZ-YMQLSTQVSA-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