General Information of the Compound
| Compound ID |
CP0467814
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-cyclopropylphenyl)ethyl]-1-methyl-1-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C32H37Cl2N5O
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| Molecular Weight |
578.588
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| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)c1ccc(C2CC2)c(Cl)c1Cl
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| InChI |
InChI=1S/C32H37Cl2N5O/c1-19-16-28(36-18-35-19)23-6-8-26-22(17-23)7-11-29(26)39-14-12-24(13-15-39)38(3)32(40)37-20(2)25-9-10-27(21-4-5-21)31(34)30(25)33/h6,8-10,16-18,20-21,24,29H,4-5,7,11-15H2,1-3H3,(H,37,40)/t20-,29?/m0/s1
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| InChIKey |
DGQJULYQJCOKSF-OORIHMLWSA-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