General Information of the Compound
| Compound ID |
CP0414772
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| Compound Name |
US10047103, 262
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| Structure |
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| Formula |
C30H28N6O3S
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| Molecular Weight |
552.66
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)c2ccccc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C30H28N6O3S/c1-20-8-9-29-32-25(17-36(29)33-20)28-16-24-26(14-23(37-2)15-27(24)39-28)38-18-21-19-40-30(31-21)35-12-10-34(11-13-35)22-6-4-3-5-7-22/h3-9,14-17,19H,10-13,18H2,1-2H3
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| InChIKey |
ZBRKYDFRBXDMFY-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