General Information of the Compound
| Compound ID |
CP0470263
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| Compound Name |
US9333195, 138
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| Structure |
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| Formula |
C28H30NO4S+
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| Molecular Weight |
476.618
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| Canonical SMILES |
OC1(C(=O)O[C@H]2C[N+]3(CCCc4cccs4)CCC2CC3)c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C28H30NO4S/c30-27(28(31)22-9-1-3-11-24(22)32-25-12-4-2-10-23(25)28)33-26-19-29(16-13-20(26)14-17-29)15-5-7-21-8-6-18-34-21/h1-4,6,8-12,18,20,26,31H,5,7,13-17,19H2/q+1/t20?,26-,29?/m0/s1
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| InChIKey |
LULZMULPNLKOML-KDMOYCQDSA-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