General Information of the Compound
| Compound ID |
CP0500294
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| Compound Name |
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C24H23Cl2N5O3
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| Molecular Weight |
500.386
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| Canonical SMILES |
COc1ncc(cc1NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CC(C(C)C)c2ncncc12
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| InChI |
InChI=1S/C24H23Cl2N5O3/c1-12(2)17-8-18(19-10-27-11-29-21(17)19)22(32)13-4-20(23(34-3)28-9-13)31-24(33)30-16-6-14(25)5-15(26)7-16/h4-7,9-12,17-18H,8H2,1-3H3,(H2,30,31,33)
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| InChIKey |
QFQUGVPOOKQVIX-UHFFFAOYSA-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