General Information of the Compound
| Compound ID |
CP0865134
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| Compound Name |
SID87543717
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| Structure |
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| Formula |
C29H36Cl2N4O6S
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| Molecular Weight |
639.602
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)O2
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| InChI |
InChI=1S/C29H36Cl2N4O6S/c1-17-13-35(18(2)16-36)28(37)12-22-11-23(33-42(38,39)29-19(3)32-41-20(29)4)7-9-26(22)40-27(17)15-34(5)14-21-6-8-24(30)25(31)10-21/h6-11,17-18,27,33,36H,12-16H2,1-5H3/t17-,18+,27+/m1/s1
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| InChIKey |
MEDOMUDOKAOXGY-UHMYUZELSA-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