General Information of the Compound
| Compound ID |
CP0014496
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| Compound Name |
CHEMBL4218942
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| Formula |
C24H26ClN7
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| Molecular Weight |
447.974
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(Cl)c2)c2ncn(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C24H26ClN7/c25-17-7-4-8-20(13-17)28-22-21-23(32(15-27-21)14-16-5-2-1-3-6-16)31-24(30-22)29-19-11-9-18(26)10-12-19/h1-8,13,15,18-19H,9-12,14,26H2,(H2,28,29,30,31)/t18-,19-
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| InChIKey |
GRCGWTXVUVHIEW-WGSAOQKQSA-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