General Information of the Compound
| Compound ID |
CP0552447
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-benzhydrylurea
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| Formula |
C22H26N6OS
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| Molecular Weight |
422.558
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| Canonical SMILES |
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H26N6OS/c1-15-18(30-21(24)26-15)13-8-14-25-20(23)28-22(29)27-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,19H,8,13-14H2,1H3,(H2,24,26)(H4,23,25,27,28,29)
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| InChIKey |
BLWGMVWWARNRMV-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