General Information of the Compound
| Compound ID |
CP0492668
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| Compound Name |
US9493474, 21
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| Structure |
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| Formula |
C27H33N3O6S
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| Molecular Weight |
527.643
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C2)C(=O)c2ccc(nc2)S(C)(=O)=O)C1
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| InChI |
InChI=1S/C27H33N3O6S/c1-18-20(6-7-21-22(18)15-36-26(21)33)23(31)14-29-11-3-9-27(16-29)10-4-12-30(17-27)25(32)19-5-8-24(28-13-19)37(2,34)35/h5-8,13,23,31H,3-4,9-12,14-17H2,1-2H3/t23-,27?/m0/s1
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| InChIKey |
GRBBCPUWDYNWNU-DCCUJTHKSA-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