General Information of the Compound
| Compound ID |
CP0957477
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| Compound Name |
SID131438440
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| Structure |
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| Formula |
C22H24Cl2FN3O4
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| Molecular Weight |
484.355
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| Canonical SMILES |
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO
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| InChI |
InChI=1S/C22H24Cl2FN3O4/c23-14-9-13(10-15(24)11-14)21(30)26-8-7-18-5-6-19(20(12-29)32-18)28-22(31)27-17-3-1-16(25)2-4-17/h1-4,9-11,18-20,29H,5-8,12H2,(H,26,30)(H2,27,28,31)/t18-,19+,20+/m1/s1
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| InChIKey |
UXPANLXRCNMZBB-AABGKKOBSA-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