General Information of the Compound
| Compound ID |
CP0002608
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| Compound Name |
CHEMBL4218779
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| Formula |
C23H32ClN7
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| Molecular Weight |
442.011
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| Canonical SMILES |
CCCCCCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C23H32ClN7/c1-2-3-4-5-13-31-15-26-20-21(27-19-8-6-7-16(24)14-19)29-23(30-22(20)31)28-18-11-9-17(25)10-12-18/h6-8,14-15,17-18H,2-5,9-13,25H2,1H3,(H2,27,28,29,30)/t17-,18-
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| InChIKey |
BZPHQYPDVUCZGN-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