General Information of the Compound
| Compound ID |
CP0908888
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| Compound Name |
SID131464468
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| Structure |
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| Formula |
C29H34N2O3S
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| Molecular Weight |
490.669
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| Canonical SMILES |
Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1
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| InChI |
InChI=1S/C29H34N2O3S/c1-21-8-7-10-25(18-21)23-12-14-24(15-13-23)29-26-19-30(16-5-6-17-31(26)27(29)20-32)35(33,34)28-11-4-3-9-22(28)2/h3-4,7-15,18,26-27,29,32H,5-6,16-17,19-20H2,1-2H3/t26-,27-,29+/m0/s1
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| InChIKey |
YRONVPSRGAJUBK-HPUNYJORSA-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