General Information of the Compound
| Compound ID |
CP0572988
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| Compound Name |
US10047103, 271
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
CCC1CCN(CC1)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1
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| InChI |
InChI=1S/C27H29N5O3S/c1-4-18-7-9-31(10-8-18)27-28-19(16-36-27)15-34-23-11-20(33-3)12-24-21(23)13-25(35-24)22-14-32-26(29-22)6-5-17(2)30-32/h5-6,11-14,16,18H,4,7-10,15H2,1-3H3
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| InChIKey |
QJPCUASBWDOLAJ-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