General Information of the Compound
| Compound ID |
CP0568791
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| Compound Name |
CHEMBL5091391
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| Structure |
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| Formula |
C24H27ClFN5O2
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| Molecular Weight |
471.964
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@]4(C3)CCCNC4=O)c2c1Cl
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| InChI |
InChI=1S/C24H27ClFN5O2/c1-31(2)21(32)16-15(27)5-4-13(19(16)26)14-10-29-20-17(18(14)25)24(12-30-20)8-7-23(11-24)6-3-9-28-22(23)33/h4-5,10H,3,6-9,11-12,27H2,1-2H3,(H,28,33)(H,29,30)/t23-,24-/m0/s1
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| InChIKey |
GTDGSURDWQAKFW-ZEQRLZLVSA-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