General Information of the Compound
| Compound ID |
CP0546557
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| Compound Name |
US10047103, 216
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| Structure |
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| Formula |
C26H27N5O4S
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| Molecular Weight |
505.6
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2C[C@H](C)O[C@H](C)C2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H27N5O4S/c1-15-5-6-25-28-21(12-31(25)29-15)24-9-20-22(7-19(32-4)8-23(20)35-24)33-13-18-14-36-26(27-18)30-10-16(2)34-17(3)11-30/h5-9,12,14,16-17H,10-11,13H2,1-4H3/t16-,17+
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| InChIKey |
BRJLWOZTWLSNMI-CALCHBBNSA-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