General Information of the Compound
| Compound ID |
CP0571146
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| Compound Name |
CHEMBL4218371
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| Formula |
C20H26BrN7
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| Molecular Weight |
444.381
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| Canonical SMILES |
CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C20H26BrN7/c1-12(2)28-11-23-17-18(24-15-7-3-13(21)4-8-15)26-20(27-19(17)28)25-16-9-5-14(22)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10,22H2,1-2H3,(H2,24,25,26,27)/t14-,16-
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| InChIKey |
XEZMGFOBOLLVLT-KOMQPUFPSA-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