General Information of the Compound
| Compound ID |
CP0492541
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| Compound Name |
US9067871, 77
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| Structure |
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| Formula |
C23H31ClN2O3S
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| Molecular Weight |
451.032
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| Canonical SMILES |
CCCS(=O)(=O)N(C)CCOc1ccc2CCC(N)C(Cc3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C23H31ClN2O3S/c1-3-14-30(27,28)26(2)12-13-29-20-10-6-18-7-11-23(25)22(21(18)16-20)15-17-4-8-19(24)9-5-17/h4-6,8-10,16,22-23H,3,7,11-15,25H2,1-2H3
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| InChIKey |
PTNNMRLJKAATPS-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