General Information of the Compound
| Compound ID |
CP0572449
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| Compound Name |
US9333195, 77
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| Structure |
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| Formula |
C23H26NO3S3+
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| Molecular Weight |
460.666
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C23H26NO3S3/c25-22(23(26,20-5-2-14-29-20)21-6-3-15-30-21)27-19-16-24(10-7-17(19)8-11-24)12-9-18-4-1-13-28-18/h1-6,13-15,17,19,26H,7-12,16H2/q+1/t17?,19-,24?/m0/s1
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| InChIKey |
NQAHVRYHYJXTML-MZXKRHHESA-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