General Information of the Compound
| Compound ID |
CP0306438
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(thiophen-3-yloxy)pyrrolidin-2-yl)methanone
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| Structure |
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| Formula |
C18H27N3O2S
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| Molecular Weight |
349.5
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| Canonical SMILES |
O=C([C@H]1C[C@@H](CN1)Oc1ccsc1)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C18H27N3O2S/c22-18(17-11-16(12-19-17)23-15-5-10-24-13-15)21-7-2-6-20(8-9-21)14-3-1-4-14/h5,10,13-14,16-17,19H,1-4,6-9,11-12H2/t16-,17+/m0/s1
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| InChIKey |
JJYBOAZIKDYOTJ-DLBZAZTESA-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