General Information of the Compound
| Compound ID |
CP0221803
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| Compound Name |
CHEMBL3037914
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| Formula |
C29H28FN5O2
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| Molecular Weight |
497.574
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| Canonical SMILES |
CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1
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| InChI |
InChI=1S/C29H28FN5O2/c1-16(2)37-22-13-21(17-7-5-4-6-8-17)33-24-19(22)9-10-20(23(24)30)25-26-27(31)32-11-12-35(26)28(34-25)18-14-29(3,36)15-18/h4-13,16,18,36H,14-15H2,1-3H3,(H2,31,32)/t18-,29+
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| InChIKey |
RCDQIZOANVTJQW-HGBJFFEJSA-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