General Information of the Compound
| Compound ID |
CP0547285
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| Compound Name |
US10047103, 249
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| Structure |
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| Formula |
C23H23N5O4S
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| Molecular Weight |
465.535
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N(C)CCO)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C23H23N5O4S/c1-14-4-5-22-25-18(11-28(22)26-14)21-10-17-19(8-16(30-3)9-20(17)32-21)31-12-15-13-33-23(24-15)27(2)6-7-29/h4-5,8-11,13,29H,6-7,12H2,1-3H3
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| InChIKey |
ZFDFANBZDPOBKV-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