General Information of the Compound
| Compound ID |
CP0454566
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| Compound Name |
CHEMBL4061227
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| Formula |
C19H29N5O
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| Molecular Weight |
343.475
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCOC3)c12
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| InChI |
InChI=1S/C19H29N5O/c1-24(2)15-7-5-14(6-8-15)23-19-17-16(13-4-3-9-25-11-13)10-20-18(17)21-12-22-19/h10,12-15H,3-9,11H2,1-2H3,(H2,20,21,22,23)/t13?,14-,15-
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| InChIKey |
CHTWGYQDULVTTE-NJIVVBIYSA-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