General Information of the Compound
| Compound ID |
CP0204442
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| Compound Name |
N-[(2S)-3-(6-cyanospiro[3,4-dihydrochromene-2,3'-piperidine]-1'-yl)-2-hydroxypropyl]-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C29H39N3O5S
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| Molecular Weight |
541.714
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(ccc3O2)C#N)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C29H39N3O5S/c1-4-36-16-15-32(38(34,35)28-22(2)7-5-8-23(28)3)20-26(33)19-31-14-6-12-29(21-31)13-11-25-17-24(18-30)9-10-27(25)37-29/h5,7-10,17,26,33H,4,6,11-16,19-21H2,1-3H3/t26-,29?/m0/s1
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| InChIKey |
JPBNLFIIFNMMLS-QUWDGAPNSA-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