General Information of the Compound
| Compound ID |
CP0145221
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| Compound Name |
CHEMBL2086749
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| Formula |
C30H30N4O3
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| Molecular Weight |
494.595
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| Canonical SMILES |
CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)
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| InChIKey |
MVPVPEPQINQQJL-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