General Information of the Compound
| Compound ID |
CP0458931
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| Compound Name |
(1S,2S)-N-(diaminomethylidene)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C13H15N3O2
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| Molecular Weight |
245.282
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| Canonical SMILES |
NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc2OCCc12
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| InChI |
InChI=1S/C13H15N3O2/c14-13(15)16-12(17)10-6-9(10)7-2-1-3-11-8(7)4-5-18-11/h1-3,9-10H,4-6H2,(H4,14,15,16,17)/t9-,10+/m1/s1
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| InChIKey |
PIZBQEGYQOWNTO-ZJUUUORDSA-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