General Information of the Compound
| Compound ID |
CP0309198
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| Compound Name |
1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propylamino]-2-propan-2-ylguanidine
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| Structure |
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| Formula |
C17H29N5O
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| Molecular Weight |
319.453
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| Canonical SMILES |
CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
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| InChI |
InChI=1S/C17H29N5O/c1-13(2)21-17(18)22-20-11-5-10-19-12-15-9-8-14-6-3-4-7-16(14)23-15/h3-4,6-7,13,15,19-20H,5,8-12H2,1-2H3,(H3,18,21,22)
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| InChIKey |
IFIOJWDNDQCAIQ-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