General Information of the Compound
| Compound ID |
CP0566619
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| Compound Name |
3-[(1S)-2-cyclopropyl-1-(2,3-dichloro-4-pyrazin-2-ylphenyl)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 |
C36H39Cl2N7O
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| Molecular Weight |
656.662
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| Canonical SMILES |
CN(C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)C(=O)N[C@@H](CC1CC1)c1ccc(c(Cl)c1Cl)-c1cnccn1
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| InChI |
InChI=1S/C36H39Cl2N7O/c1-22-17-30(42-21-41-22)25-5-7-27-24(19-25)6-10-33(27)45-15-11-26(12-16-45)44(2)36(46)43-31(18-23-3-4-23)28-8-9-29(35(38)34(28)37)32-20-39-13-14-40-32/h5,7-9,13-14,17,19-21,23,26,31,33H,3-4,6,10-12,15-16,18H2,1-2H3,(H,43,46)/t31-,33?/m0/s1
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| InChIKey |
LKNUYMITVFWBDH-MOJIJOCKSA-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