General Information of the Compound
| Compound ID |
CP0449152
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| Compound Name |
Allyl-dicyclopropylmethyl-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
COc1cc(OC)c(c(OC)c1)-c1ccnc(n1)N(CC=C)C(C1CC1)C1CC1
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| InChI |
InChI=1S/C23H29N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h5,10-11,13-16,22H,1,6-9,12H2,2-4H3
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| InChIKey |
WDVKULHHTGSZFQ-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