General Information of the Compound
| Compound ID |
CP0160501
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| Compound Name |
CHEMBL2086750
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| Formula |
C30H31N5O2
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| Molecular Weight |
493.611
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| Canonical SMILES |
CCN1CCCC(C1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C30H31N5O2/c1-3-35-15-7-10-21(18-35)31-20-11-13-24-23(16-20)28(30(36)34-24)27(19-8-5-4-6-9-19)29-32-25-14-12-22(37-2)17-26(25)33-29/h4-6,8-9,11-14,16-17,21,31H,3,7,10,15,18H2,1-2H3,(H,32,33)(H,34,36)
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| InChIKey |
SYFRIDPPPMYGGR-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