General Information of the Compound
| Compound ID |
CP0907571
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| Compound Name |
SID87540974
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| Structure |
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| Formula |
C33H44Cl2F3N3O5
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| Molecular Weight |
690.631
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H44Cl2F3N3O5/c1-21-17-41(22(2)20-42)32(44)26-16-25(39-31(43)12-13-33(36,37)38)9-11-29(26)46-23(3)7-5-6-14-45-30(21)19-40(4)18-24-8-10-27(34)28(35)15-24/h8-11,15-16,21-23,30,42H,5-7,12-14,17-20H2,1-4H3,(H,39,43)/t21-,22-,23+,30-/m1/s1
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| InChIKey |
DQMSHBPWTQYHPD-ORVIQXKCSA-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