General Information of the Compound
| Compound ID |
CP0450822
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-hydroxyphenyl)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 |
C25H31Cl2N3O2
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| Molecular Weight |
476.448
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| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(C)ccc12)c1ccc(O)c(Cl)c1Cl
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| InChI |
InChI=1S/C25H31Cl2N3O2/c1-15-4-6-20-17(14-15)5-8-21(20)30-12-10-18(11-13-30)29(3)25(32)28-16(2)19-7-9-22(31)24(27)23(19)26/h4,6-7,9,14,16,18,21,31H,5,8,10-13H2,1-3H3,(H,28,32)/t16-,21?/m0/s1
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| InChIKey |
BRZKQYLMXZXCLL-BJQOMGFOSA-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