General Information of the Compound
| Compound ID |
CP0573742
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| Compound Name |
US10047103, 268
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| Structure |
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| Formula |
C30H27ClN6O3S
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| Molecular Weight |
587.105
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)c2cccc(Cl)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C30H27ClN6O3S/c1-19-6-7-29-33-25(16-37(29)34-19)28-15-24-26(13-23(38-2)14-27(24)40-28)39-17-21-18-41-30(32-21)36-10-8-35(9-11-36)22-5-3-4-20(31)12-22/h3-7,12-16,18H,8-11,17H2,1-2H3
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| InChIKey |
UKCRLKPWELRRNZ-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