General Information of the Compound
| Compound ID |
CP0529329
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| Compound Name |
US8912224, 302
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| Structure |
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| Formula |
C21H21N3O3S
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| Molecular Weight |
395.484
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| Canonical SMILES |
NCC(=O)NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C21H21N3O3S/c22-11-20(25)23-12-17-13-24-21(28-17)26-16-7-9-19-15(10-16)6-8-18(27-19)14-4-2-1-3-5-14/h1-5,7,9-10,13,18H,6,8,11-12,22H2,(H,23,25)/t18-/m0/s1
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| InChIKey |
MYFORWFGABTXHV-SFHVURJKSA-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