General Information of the Compound
| Compound ID |
CP0418478
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| Compound Name |
CHEMBL4852532
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| Formula |
C25H25ClN2O2
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| Molecular Weight |
420.94
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](C[C@@H]12)Oc1ccnc2ccccc12
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| InChI |
InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19+,20-,21?,24-
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| InChIKey |
UAXPPQPDGOMVPD-LDFOQBSTSA-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