General Information of the Compound
| Compound ID |
CP0524582
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| Compound Name |
US9018371, 8
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| Structure |
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| Formula |
C20H18ClN5O2S
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| Molecular Weight |
427.917
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| Canonical SMILES |
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12
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| InChI |
InChI=1S/C20H18ClN5O2S/c21-20-24-17(22-8-12-6-3-5-11-4-1-2-7-13(11)12)15-18(25-20)26(10-23-15)19-16(28)14(27)9-29-19/h1-7,10,14,16,19,27-28H,8-9H2,(H,22,24,25)/t14?,16-,19+/m0/s1
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| InChIKey |
SBJORAVUWWLBAK-WHJCRDCLSA-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