General Information of the Compound
| Compound ID |
CP0467815
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| Compound Name |
3-[(1S)-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 |
C33H35Cl2N7O
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| Molecular Weight |
616.597
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| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)c1ccc(-c2cnccn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C33H35Cl2N7O/c1-20-16-28(39-19-38-20)23-4-6-26-22(17-23)5-9-30(26)42-14-10-24(11-15-42)41(3)33(43)40-21(2)25-7-8-27(32(35)31(25)34)29-18-36-12-13-37-29/h4,6-8,12-13,16-19,21,24,30H,5,9-11,14-15H2,1-3H3,(H,40,43)/t21-,30?/m0/s1
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| InChIKey |
RUUCIUOBMJBNIZ-UHWFRNQFSA-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