General Information of the Compound
Compound ID |
CP0068403
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Compound Name |
CHEMBL2086752
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Formula |
C30H31N5O2
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Molecular Weight |
493.611
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Canonical SMILES |
COCCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
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InChI |
InChI=1S/C30H31N5O2/c1-37-18-17-35-15-13-21(14-16-35)31-22-11-12-24-23(19-22)28(30(36)34-24)27(20-7-3-2-4-8-20)29-32-25-9-5-6-10-26(25)33-29/h2-12,19,21,31H,13-18H2,1H3,(H,32,33)(H,34,36)
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InChIKey |
RWHCDDJSGYJEHN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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