General Information of the Compound
| Compound ID |
CP0321859
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| Compound Name |
US9290476, 95
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| Structure |
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| Formula |
C29H22Cl2F3N3O2
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| Molecular Weight |
572.414
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3
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| InChIKey |
KCRUKFRIJDAXFC-UHFFFAOYSA-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