General Information of the Compound
| Compound ID |
CP0547287
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| Compound Name |
US10047103, 242
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| Structure |
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| Formula |
C32H30N4O4S
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| Molecular Weight |
566.683
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| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(CCOCC2)c2ccc(C)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C32H30N4O4S/c1-20-4-7-22(8-5-20)32(10-12-38-13-11-32)31-33-23(19-41-31)18-39-27-14-24(37-3)15-28-25(27)16-29(40-28)26-17-36-30(34-26)9-6-21(2)35-36/h4-9,14-17,19H,10-13,18H2,1-3H3
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| InChIKey |
REUAAWVWOPSPHO-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