General Information of the Compound
| Compound ID |
CP0560668
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| Compound Name |
US8912224, 291
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| Structure |
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| Formula |
C24H25N3O3S
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| Molecular Weight |
435.549
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| Canonical SMILES |
NCC1CCCN1C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H25N3O3S/c25-14-18-7-4-12-27(18)23(28)22-15-26-24(31-22)29-19-9-11-21-17(13-19)8-10-20(30-21)16-5-2-1-3-6-16/h1-3,5-6,9,11,13,15,18,20H,4,7-8,10,12,14,25H2/t18?,20-/m0/s1
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| InChIKey |
FNTIYKAGUDDWSP-IJHRGXPZSA-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