General Information of the Compound
| Compound ID |
CP0444006
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| Compound Name |
CHEMBL2414652
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCCC4)CC3)C(=O)c12
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| InChI |
InChI=1S/C25H31N5O3/c26-23-22-24(28-16-27-23)33-14-13-30(25(22)32)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(31)29-11-1-2-12-29/h7-10,16-18H,1-6,11-15H2,(H2,26,27,28)/t17-,18-
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| InChIKey |
VGEOYWKVBHUKKJ-IYARVYRRSA-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