General Information of the Compound
| Compound ID |
CP0886270
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| Compound Name |
SID131464768
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| Structure |
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| Formula |
C27H34N2O3S
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| Molecular Weight |
466.647
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| Canonical SMILES |
Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)c1
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| InChI |
InChI=1S/C27H34N2O3S/c1-20(2)9-10-22-11-13-23(14-12-22)27-25-18-28(15-4-5-16-29(25)26(27)19-30)33(31,32)24-8-6-7-21(3)17-24/h6-8,11-14,17,20,25-27,30H,4-5,15-16,18-19H2,1-3H3/t25-,26-,27-/m1/s1
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| InChIKey |
AMCQBTIAUQZUPH-ZONZVBGPSA-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