General Information of the Compound
| Compound ID |
CP0561362
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| Compound Name |
US9169240, 81
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| Structure |
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| Formula |
C27H22N4O3S
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| Molecular Weight |
482.565
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| Canonical SMILES |
O=C(c1nnc(o1)N1CC[C@@H](C1)OCc1ccccc1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C27H22N4O3S/c32-24(26-28-22-12-11-20(15-23(22)35-26)19-9-5-2-6-10-19)25-29-30-27(34-25)31-14-13-21(16-31)33-17-18-7-3-1-4-8-18/h1-12,15,21H,13-14,16-17H2/t21-/m0/s1
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| InChIKey |
LVOJLNVUNVFARK-NRFANRHFSA-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