General Information of the Compound
| Compound ID |
CP0570816
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| Compound Name |
1-[4-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]oxyphenyl]-3-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C29H33ClN10O3
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| Molecular Weight |
605.103
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1
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| InChI |
InChI=1S/C29H33ClN10O3/c1-39-18-19(16-32-39)25-6-7-26(38-37-25)40-12-8-21(9-13-40)35-29(41)34-20-2-4-23(5-3-20)43-27-24(30)17-31-28(36-27)33-22-10-14-42-15-11-22/h2-7,16-18,21-22H,8-15H2,1H3,(H,31,33,36)(H2,34,35,41)
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| InChIKey |
TYENRVJMVUOECY-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