General Information of the Compound
| Compound ID |
CP0504897
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| Compound Name |
1-(9H-Carbazol-4-yloxy)-3-{[1-(naphthalene-2-sulfonyl)-piperidin-4-ylmethyl]-amino}-propan-2-ol
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| Structure |
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| Formula |
C31H33N3O4S
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| Molecular Weight |
543.689
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| Canonical SMILES |
O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C31H33N3O4S/c35-25(21-38-30-11-5-10-29-31(30)27-8-3-4-9-28(27)33-29)20-32-19-22-14-16-34(17-15-22)39(36,37)26-13-12-23-6-1-2-7-24(23)18-26/h1-13,18,22,25,32-33,35H,14-17,19-21H2/t25-/m0/s1
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| InChIKey |
OGGGKRFELHDDCI-VWLOTQADSA-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