General Information of the Compound
| Compound ID |
CP0856720
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| Compound Name |
SID131464869
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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 |
Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)cc1
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| InChI |
InChI=1S/C29H34N2O3S/c1-21-8-10-23(11-9-21)24-12-14-25(15-13-24)29-27-19-30(16-3-4-17-31(27)28(29)20-32)35(33,34)26-7-5-6-22(2)18-26/h5-15,18,27-29,32H,3-4,16-17,19-20H2,1-2H3/t27-,28-,29+/m0/s1
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| InChIKey |
HUHKKUKPYJACGP-YTCPBCGMSA-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