General Information of the Compound
| Compound ID |
CP0573836
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| Compound Name |
cyclopentyl-[4-[[2-methyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C26H36N4OS
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| Molecular Weight |
452.668
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)C(=O)C2CCCC2)cccc1Nc1nc2CCCCCc2s1
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| InChI |
InChI=1S/C26H36N4OS/c1-19-21(18-29-14-16-30(17-15-29)25(31)20-8-5-6-9-20)10-7-12-22(19)27-26-28-23-11-3-2-4-13-24(23)32-26/h7,10,12,20H,2-6,8-9,11,13-18H2,1H3,(H,27,28)
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| InChIKey |
RGIXBPWDKHKEFB-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