General Information of the Compound
| Compound ID |
CP0536191
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methyl-1-[1-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C27H32Cl2N6O2
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| Molecular Weight |
543.499
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| Canonical SMILES |
COc1ccc([C@H](C)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(ccc23)-n2nccn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C27H32Cl2N6O2/c1-17(21-7-9-24(37-3)26(29)25(21)28)32-27(36)33(2)19-10-14-34(15-11-19)23-8-4-18-16-20(5-6-22(18)23)35-30-12-13-31-35/h5-7,9,12-13,16-17,19,23H,4,8,10-11,14-15H2,1-3H3,(H,32,36)/t17-,23?/m0/s1
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| InChIKey |
XFGLGGCSUCPCJZ-NVHKAFQKSA-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