General Information of the Compound
| Compound ID |
CP0389353
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| Compound Name |
US10047103, 280
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| Structure |
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| Formula |
C24H25N5O3S
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| Molecular Weight |
463.563
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N(C)C(C)C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C24H25N5O3S/c1-14(2)28(4)24-25-16(13-33-24)12-31-20-8-17(30-5)9-21-18(20)10-22(32-21)19-11-29-23(26-19)7-6-15(3)27-29/h6-11,13-14H,12H2,1-5H3
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| InChIKey |
OAVHFMUPLMQITQ-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