General Information of the Compound
| Compound ID |
CP0489546
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methyl-1-[1-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]urea
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| Structure |
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| Formula |
C26H33Cl2N3O2
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| Molecular Weight |
490.475
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| Canonical SMILES |
COc1ccc([C@H](C)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(C)ccc23)c(Cl)c1Cl
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| InChI |
InChI=1S/C26H33Cl2N3O2/c1-16-5-7-21-18(15-16)6-9-22(21)31-13-11-19(12-14-31)30(3)26(32)29-17(2)20-8-10-23(33-4)25(28)24(20)27/h5,7-8,10,15,17,19,22H,6,9,11-14H2,1-4H3,(H,29,32)/t17-,22?/m0/s1
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| InChIKey |
FIQMYXXVXVDQMM-LBOXEOMUSA-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