General Information of the Compound
| Compound ID |
CP0013995
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| Compound Name |
CHEMBL4218867
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| Formula |
C22H30ClN7
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| Molecular Weight |
427.984
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| Canonical SMILES |
CCCCn1cnc2c(NCc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C22H30ClN7/c1-2-3-11-30-14-26-19-20(25-13-15-5-4-6-16(23)12-15)28-22(29-21(19)30)27-18-9-7-17(24)8-10-18/h4-6,12,14,17-18H,2-3,7-11,13,24H2,1H3,(H2,25,27,28,29)/t17-,18-
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| InChIKey |
VLBSNNWBUFJZQV-IYARVYRRSA-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