General Information of the Compound
| Compound ID |
CP0411684
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| Compound Name |
2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
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| Structure |
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| Formula |
C29H40N4O2S
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| Molecular Weight |
508.732
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1
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| InChI |
InChI=1S/C29H40N4O2S/c1-21(2)23-10-7-11-24(22(3)4)28(23)31-27(34)20-33-15-8-14-32(17-18-33)16-9-19-36-29-30-25-12-5-6-13-26(25)35-29/h5-7,10-13,21-22H,8-9,14-20H2,1-4H3,(H,31,34)
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| InChIKey |
DVOPSFWSHOUZHK-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