General Information of the Compound
| Compound ID |
CP0884746
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| Compound Name |
SID87541940
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| Structure |
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| Formula |
C31H35Cl2FN4O4
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| Molecular Weight |
617.549
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H35Cl2FN4O4/c1-19-15-38(20(2)18-39)30(40)14-22-13-25(36-31(41)35-24-7-5-23(34)6-8-24)9-11-28(22)42-29(19)17-37(3)16-21-4-10-26(32)27(33)12-21/h4-13,19-20,29,39H,14-18H2,1-3H3,(H2,35,36,41)/t19-,20+,29+/m1/s1
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| InChIKey |
DWBBIMOOPOSMMP-IKDMDFKBSA-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