General Information of the Compound
| Compound ID |
CP0884812
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| Compound Name |
SID99359766
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| Structure |
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| Formula |
C33H39N5O12S
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| Molecular Weight |
729.765
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| Canonical SMILES |
C#CCN(C[C@H]1[C@H](OC(=O)Nc2c(C)noc2C)[C@H](OC(=O)Nc2c(C)noc2C)C[C@@H](C(=O)OC)[C@H]1C(=O)OC)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C33H39N5O12S/c1-9-14-38(51(43,44)22-12-10-17(2)11-13-22)16-24-26(31(40)46-8)23(30(39)45-7)15-25(47-32(41)34-27-18(3)36-49-20(27)5)29(24)48-33(42)35-28-19(4)37-50-21(28)6/h1,10-13,23-26,29H,14-16H2,2-8H3,(H,34,41)(H,35,42)/t23-,24-,25-,26-,29+/m1/s1
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| InChIKey |
AGZFXUXIFFGVQL-FSJVOCHISA-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