General Information of the Compound
| Compound ID |
CP0312499
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| Compound Name |
US9290476, 62A
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| Structure |
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| Formula |
C29H21ClF6N4O2
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| Molecular Weight |
606.954
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3
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| InChIKey |
YKOCDXNRGRBHBI-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