General Information of the Compound
| Compound ID |
CP0479660
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| Compound Name |
US9346786, 70
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| Structure |
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| Formula |
C29H30ClF4N3O4
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| Molecular Weight |
596.021
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CC1(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C29H30ClF4N3O4/c1-2-37(28(40)41-20-6-4-19(31)5-7-20)25-16-36(15-21(25)18-3-8-23(30)24(32)13-18)26(38)17-9-11-35(12-10-17)27(39)22-14-29(22,33)34/h3-8,13,17,21-22,25H,2,9-12,14-16H2,1H3/t21-,22?,25+/m0/s1
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| InChIKey |
DIMCOBFONBQJNO-KBOKOGPMSA-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