General Information of the Compound
| Compound ID |
CP0446260
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| Compound Name |
US8653100, 59
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| Structure |
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| Formula |
C29H35ClN4O3S
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| Molecular Weight |
555.144
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| Canonical SMILES |
CCCNc1ccc(cn1)S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H35ClN4O3S/c1-2-15-31-27-11-10-25(20-33-27)38(35,36)34-17-18-37-24-9-4-21-12-16-32-28(26(21)19-24)29(13-3-14-29)22-5-7-23(30)8-6-22/h4-11,19-20,28,32,34H,2-3,12-18H2,1H3,(H,31,33)
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| InChIKey |
FPFJBHOZHYHVRJ-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