General Information of the Compound
| Compound ID |
CP0908716
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| Compound Name |
SID131434101
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| Structure |
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| Formula |
C33H39N3O6S
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| Molecular Weight |
605.757
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| Canonical SMILES |
COc1cccc(S(=O)(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)c1
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| InChI |
InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m0/s1
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| InChIKey |
ZFRPCBGONKGXGW-BURCIIJTSA-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