General Information of the Compound
| Compound ID |
CP0281234
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-spiro[8,9-dihydro-3H-pyrano[3,2-e]indazole-7,3'-piperidine]-1'-ylpropyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C29H40N4O5S
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| Molecular Weight |
556.729
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3c(O2)ccc2[nH]ncc32)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C29H40N4O5S/c1-4-37-16-15-33(39(35,36)28-21(2)7-5-8-22(28)3)19-23(34)18-32-14-6-12-29(20-32)13-11-24-25-17-30-31-26(25)9-10-27(24)38-29/h5,7-10,17,23,34H,4,6,11-16,18-20H2,1-3H3,(H,30,31)/t23-,29?/m0/s1
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| InChIKey |
ZSKFBGIRLVOQAD-QASNXKAYSA-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