General Information of the Compound
| Compound ID |
CP0486071
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| Compound Name |
US9333195, 71
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| Structure |
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| Formula |
C26H30NO5S2+
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| Molecular Weight |
500.662
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| Canonical SMILES |
Oc1ccccc1OCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C26H29NO5S2/c28-20-6-1-2-7-21(20)31-15-5-12-27-13-10-19(11-14-27)22(18-27)32-25(29)26(30,23-8-3-16-33-23)24-9-4-17-34-24/h1-4,6-9,16-17,19,22,30H,5,10-15,18H2/p+1/t19?,22-,27?/m0/s1
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| InChIKey |
NZVIWTZMHAIHMV-UPNKGIKISA-O
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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