General Information of the Compound
| Compound ID |
CP0462170
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| Compound Name |
3-[(1S)-1-[2,3-dichloro-4-(2-cyclopropylethynyl)phenyl]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 |
C30H35Cl2N3O
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| Molecular Weight |
524.536
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| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(C)ccc12)c1ccc(C#CC2CC2)c(Cl)c1Cl
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| InChI |
InChI=1S/C30H35Cl2N3O/c1-19-4-11-26-23(18-19)10-13-27(26)35-16-14-24(15-17-35)34(3)30(36)33-20(2)25-12-9-22(28(31)29(25)32)8-7-21-5-6-21/h4,9,11-12,18,20-21,24,27H,5-6,10,13-17H2,1-3H3,(H,33,36)/t20-,27?/m0/s1
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| InChIKey |
KOOYRHMXKJUKGV-SVQMELKDSA-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