General Information of the Compound
| Compound ID |
CP0387372
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| Compound Name |
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
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| Structure |
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| Formula |
C25H29ClN4O
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| Molecular Weight |
436.987
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| Canonical SMILES |
Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1
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| InChI |
InChI=1S/C25H29ClN4O/c26-20-5-6-22-23(7-8-27-24(22)15-20)28-21-13-18(16-29-9-1-2-10-29)25(31)19(14-21)17-30-11-3-4-12-30/h5-8,13-15,31H,1-4,9-12,16-17H2,(H,27,28)
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| InChIKey |
UNJNCKMZXXZIBE-UHFFFAOYSA-N
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| CAS |
5201-88-7
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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