General Information of the Compound
| Compound ID |
CP0885555
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| Compound Name |
SID131449099
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| Structure |
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| Formula |
C24H22ClFN2O3S
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| Molecular Weight |
472.969
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| Canonical SMILES |
O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl
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| InChI |
InChI=1S/C24H22ClFN2O3S/c25-20-7-3-1-5-16(20)13-27-22-14-28(32(30,31)18-11-9-17(26)10-12-18)21-8-4-2-6-19(21)24(22)23(27)15-29/h1-12,22-24,29H,13-15H2/t22-,23-,24+/m0/s1
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| InChIKey |
IJAJYIACEINGRL-KMDXXIMOSA-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