General Information of the Compound
| Compound ID |
CP0394790
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| Compound Name |
CHEMBL4228879
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
OC1CCC[C@H](O)[C@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
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| InChI |
InChI=1S/C24H25N5O3/c30-20-5-1-6-21(31)23(20)27-24(32)18-15-28(19-4-2-11-25-22(18)19)14-16-7-9-17(10-8-16)29-13-3-12-26-29/h2-4,7-13,15,20-21,23,30-31H,1,5-6,14H2,(H,27,32)/t20-,21?,23+/m0/s1
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| InChIKey |
NCVPZEFQCSVGJQ-AXUWQRLWSA-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