General Information of the Compound
| Compound ID |
CP0472809
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| Compound Name |
US9169240, 19
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| Structure |
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| Formula |
C27H28N4O2S
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| Molecular Weight |
472.614
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| Canonical SMILES |
O=C(c1nnc(CCC2CCN(CC3CC3)CC2)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4O2S/c32-25(27-28-22-10-9-21(16-23(22)34-27)20-4-2-1-3-5-20)26-30-29-24(33-26)11-8-18-12-14-31(15-13-18)17-19-6-7-19/h1-5,9-10,16,18-19H,6-8,11-15,17H2
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| InChIKey |
WSIPQTIMECIFFK-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