General Information of the Compound
| Compound ID |
CP0565478
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| Compound Name |
US9346786, 4
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| Structure |
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| Formula |
C31H34Cl2FN3O4
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| Molecular Weight |
602.534
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| Canonical SMILES |
CC1(CC1)C(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)c(Cl)c1)N(C1CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H34Cl2FN3O4/c1-31(12-13-31)29(39)35-14-10-19(11-15-35)28(38)36-17-24(20-2-9-25(32)26(33)16-20)27(18-36)37(22-5-6-22)30(40)41-23-7-3-21(34)4-8-23/h2-4,7-9,16,19,22,24,27H,5-6,10-15,17-18H2,1H3/t24-,27+/m0/s1
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| InChIKey |
OIPIIYDZGVGUOS-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