General Information of the Compound
| Compound ID |
CP0501026
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| Compound Name |
US10047103, 252
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| Structure |
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| Formula |
C27H30N6O3S
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| Molecular Weight |
518.643
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCC(CC2)N(C)C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H30N6O3S/c1-17-5-6-26-29-22(14-33(26)30-17)25-13-21-23(11-20(34-4)12-24(21)36-25)35-15-18-16-37-27(28-18)32-9-7-19(8-10-32)31(2)3/h5-6,11-14,16,19H,7-10,15H2,1-4H3
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| InChIKey |
DFCMLDSBUNKEOP-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