General Information of the Compound
| Compound ID |
CP0506862
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| Compound Name |
US8912224, 149
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| Structure |
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| Formula |
C24H24N4O2S
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| Molecular Weight |
432.549
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| Canonical SMILES |
C(Cn1cccn1)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H24N4O2S/c1-2-5-18(6-3-1)22-9-7-19-15-20(8-10-23(19)30-22)29-24-26-17-21(31-24)16-25-12-14-28-13-4-11-27-28/h1-6,8,10-11,13,15,17,22,25H,7,9,12,14,16H2
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| InChIKey |
VGNGGKAQHXRKHD-UHFFFAOYSA-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