General Information of the Compound
| Compound ID |
CP0545340
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| Compound Name |
CHEMBL5175424
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| Formula |
C28H29FN6O3
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| Molecular Weight |
516.577
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| Canonical SMILES |
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ncccc2F)c(=O)nc1-c1ccn(C)n1
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| InChI |
InChI=1S/C28H29FN6O3/c1-4-17-8-6-9-18(5-2)24(17)35-25(21-12-14-33(3)32-21)31-26(36)22(28(35)38)27(37)34-15-11-19(16-34)23-20(29)10-7-13-30-23/h6-10,12-14,19,38H,4-5,11,15-16H2,1-3H3
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| InChIKey |
RGFZBDWZHOVVKE-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