General Information of the Compound
| Compound ID |
CP0506021
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| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C28H37N5OS
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| Molecular Weight |
491.705
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCCN(CC1)c1nc(Cc2ccc(C)cc2)ns1
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| InChI |
InChI=1S/C28H37N5OS/c1-19(2)23-8-6-9-24(20(3)4)26(23)30-27(34)32-14-7-15-33(17-16-32)28-29-25(31-35-28)18-22-12-10-21(5)11-13-22/h6,8-13,19-20H,7,14-18H2,1-5H3,(H,30,34)
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| InChIKey |
DVRYKSGMGGNCGZ-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