General Information of the Compound
| Compound ID |
CP0051312
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| Compound Name |
CHEMBL240613
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| Formula |
C27H31N5O
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| Molecular Weight |
441.579
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| Canonical SMILES |
CC(C)NC[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C27H31N5O/c1-18(2)30-16-20-13-22(14-20)27-31-24(25-26(28)29-11-12-32(25)27)21-9-6-10-23(15-21)33-17-19-7-4-3-5-8-19/h3-12,15,18,20,22,30H,13-14,16-17H2,1-2H3,(H2,28,29)/t20-,22+
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| InChIKey |
QPQJHDHBPSJWJG-GRGXKFILSA-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