General Information of the Compound
| Compound ID |
CP0546665
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| Compound Name |
US8912224, 267
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| Structure |
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C21H20N4O3S/c22-15-9-16(15)25-20(26)19-11-24-21(29-19)27-14-4-6-17-12(8-14)3-5-18(28-17)13-2-1-7-23-10-13/h1-2,4,6-8,10-11,15-16,18H,3,5,9,22H2,(H,25,26)/t15-,16-,18?/m0/s1
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| InChIKey |
HZUUDNREYWJFLF-MZQXSQAVSA-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