General Information of the Compound
| Compound ID |
CP0538072
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| Compound Name |
3-[(1R)-1-(2,3-dichloro-4-pyrazin-2-ylphenyl)-2,2,2-trifluoroethyl]-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 |
C33H32Cl2F3N7O
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| Molecular Weight |
670.567
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| Canonical SMILES |
CN(C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)C(=O)N[C@H](c1ccc(-c2cnccn2)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C33H32Cl2F3N7O/c1-19-15-26(42-18-41-19)21-3-5-23-20(16-21)4-8-28(23)45-13-9-22(10-14-45)44(2)32(46)43-31(33(36,37)38)25-7-6-24(29(34)30(25)35)27-17-39-11-12-40-27/h3,5-7,11-12,15-18,22,28,31H,4,8-10,13-14H2,1-2H3,(H,43,46)/t28?,31-/m1/s1
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| InChIKey |
JGWVRMLQMBMNJH-VPTMLEGASA-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