General Information of the Compound
| Compound ID |
CP0315638
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| Compound Name |
CHEMBL392082
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| Formula |
C30H35N5O2
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| Molecular Weight |
497.643
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1CC[C@H](CN2CCOCC2)CC1
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| InChI |
InChI=1S/C30H35N5O2/c31-29-28-27(25-7-4-8-26(19-25)37-21-23-5-2-1-3-6-23)33-30(35(28)14-13-32-29)24-11-9-22(10-12-24)20-34-15-17-36-18-16-34/h1-8,13-14,19,22,24H,9-12,15-18,20-21H2,(H2,31,32)/t22-,24-
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| InChIKey |
IEZNLWGERBHQJK-HCGLCNNCSA-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