General Information of the Compound
| Compound ID |
CP0493797
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| Compound Name |
CHEMBL4458304
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| Formula |
C24H26FN5O2
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| Molecular Weight |
435.503
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)[C@@H]1[C@H]2CC[C@H](CC2)[C@H]1C(=O)c1ccc(cc1F)-c1cc[nH]n1
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| InChI |
InChI=1S/C24H26FN5O2/c1-13-20(12-30(2)29-13)27-24(32)22-15-5-3-14(4-6-15)21(22)23(31)17-8-7-16(11-18(17)25)19-9-10-26-28-19/h7-12,14-15,21-22H,3-6H2,1-2H3,(H,26,28)(H,27,32)/t14-,15+,21-,22-/m1/s1
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| InChIKey |
LSHBRESJOLLYTF-SNINSWTHSA-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