General Information of the Compound
| Compound ID |
CP0442361
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| Compound Name |
1-(5-(2-chlorophenyl)thiophen-2-yl)-3-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C26H32ClN3OS
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| Molecular Weight |
470.082
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1ccc(s1)-c1ccccc1Cl)=CC2
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| InChI |
InChI=1S/C26H32ClN3OS/c1-26(2)18-8-7-17(21(26)15-18)16-30-13-11-19(12-14-30)28-25(31)29-24-10-9-23(32-24)20-5-3-4-6-22(20)27/h3-7,9-10,18-19,21H,8,11-16H2,1-2H3,(H2,28,29,31)/t18-,21-/m0/s1
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| InChIKey |
DMQITEVZZIIBEU-RXVVDRJESA-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