General Information of the Compound
| Compound ID |
CP0968021
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| Compound Name |
7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methyl-4-(3-morpholinopropyl)quinolin-2-amine
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| Structure |
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| Formula |
C29H32N8O2
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| Molecular Weight |
524.629
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| Canonical SMILES |
CNc1cc(CCCN2CCOCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C29H32N8O2/c1-31-27-14-21(3-2-7-36-9-11-38-12-10-36)24-5-4-23(15-26(24)35-27)39-18-20-13-22(17-32-16-20)37-8-6-25-28(30)33-19-34-29(25)37/h4-6,8,13-17,19H,2-3,7,9-12,18H2,1H3,(H,31,35)(H2,30,33,34)
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| InChIKey |
BJQVRSYKGPNTKP-UHFFFAOYSA-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