General Information of the Compound
| Compound ID |
CP0450827
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| Compound Name |
1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methylurea
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| Structure |
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| Formula |
C25H30Cl3N3O2
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| Molecular Weight |
510.893
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| Canonical SMILES |
COc1ccc([C@H](C)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(Cl)ccc23)c(Cl)c1Cl
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| InChI |
InChI=1S/C25H30Cl3N3O2/c1-15(19-7-9-22(33-3)24(28)23(19)27)29-25(32)30(2)18-10-12-31(13-11-18)21-8-4-16-14-17(26)5-6-20(16)21/h5-7,9,14-15,18,21H,4,8,10-13H2,1-3H3,(H,29,32)/t15-,21?/m0/s1
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| InChIKey |
IJNCAHCJZILEQW-ZDGMYTEDSA-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