General Information of the Compound
| Compound ID |
CP0513376
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| Compound Name |
US9346786, 2
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| Structure |
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| Formula |
C31H36Cl2FN3O4
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| Molecular Weight |
604.55
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| Canonical SMILES |
CC(C)N([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H36Cl2FN3O4/c1-19(2)37(30(40)41-23-7-5-22(34)6-8-23)27-18-36(17-24(27)21-4-9-25(32)26(33)16-21)28(38)20-10-14-35(15-11-20)29(39)31(3)12-13-31/h4-9,16,19-20,24,27H,10-15,17-18H2,1-3H3/t24-,27+/m0/s1
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| InChIKey |
MFYPUIKGVAOEFM-RPLLCQBOSA-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