General Information of the Compound
| Compound ID |
CP0533308
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| Compound Name |
CHEMBL1667938
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| Formula |
C30H29FN6O
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| Molecular Weight |
508.601
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| Canonical SMILES |
CN(C)C(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12
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| InChI |
InChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33)/t20-,21-
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| InChIKey |
PKWNQLPXEORTDC-MEMLXQNLSA-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