General Information of the Compound
| Compound ID |
CP0035291
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| Compound Name |
CHEMBL394155
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| Formula |
C30H35N5O
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| Molecular Weight |
481.644
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1CC[C@H](CN2CCCC2)CC1
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| InChI |
InChI=1S/C30H35N5O/c31-29-28-27(25-9-6-10-26(19-25)36-21-23-7-2-1-3-8-23)33-30(35(28)18-15-32-29)24-13-11-22(12-14-24)20-34-16-4-5-17-34/h1-3,6-10,15,18-19,22,24H,4-5,11-14,16-17,20-21H2,(H2,31,32)/t22-,24-
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| InChIKey |
KMUZIEQFSDWDIO-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