General Information of the Compound
| Compound ID |
CP0534149
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| Compound Name |
CHEMBL17454
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| Formula |
C22H26ClN5
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| Molecular Weight |
395.938
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| Canonical SMILES |
CNC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
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| InChI |
InChI=1S/C22H26ClN5/c1-24-14-15-6-10-18(11-7-15)26-22-27-20-5-3-2-4-19(20)21(28-22)25-17-12-8-16(23)9-13-17/h2-5,8-9,12-13,15,18,24H,6-7,10-11,14H2,1H3,(H2,25,26,27,28)/t15-,18-
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| InChIKey |
PGUXSGHELWFCGO-RZDIXWSQSA-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