General Information of the Compound
| Compound ID |
CP0549225
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| Compound Name |
US10047103, 285
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| Structure |
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| Formula |
C30H29N7O3S
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| Molecular Weight |
567.675
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)c2ccc(C)cn2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C30H29N7O3S/c1-19-4-6-28(31-15-19)35-8-10-36(11-9-35)30-32-21(18-41-30)17-39-25-12-22(38-3)13-26-23(25)14-27(40-26)24-16-37-29(33-24)7-5-20(2)34-37/h4-7,12-16,18H,8-11,17H2,1-3H3
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| InChIKey |
LMWSTGFRHKMRRI-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