General Information of the Compound
| Compound ID |
CP0547591
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-cyclopropylphenyl)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 |
C28H35Cl2N3O
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| Molecular Weight |
500.514
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| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(C)ccc12)c1ccc(C2CC2)c(Cl)c1Cl
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| InChI |
InChI=1S/C28H35Cl2N3O/c1-17-4-8-23-20(16-17)7-11-25(23)33-14-12-21(13-15-33)32(3)28(34)31-18(2)22-9-10-24(19-5-6-19)27(30)26(22)29/h4,8-10,16,18-19,21,25H,5-7,11-15H2,1-3H3,(H,31,34)/t18-,25?/m0/s1
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| InChIKey |
GSFPJXJUABYMKC-CPFIQGLUSA-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