General Information of the Compound
| Compound ID |
CP0108528
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| Compound Name |
N-[(2,4-dichlorophenyl)methyl]-2-[2-(piperidin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H34Cl2N6
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| Molecular Weight |
489.495
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| Canonical SMILES |
Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCCN4)C3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C25H34Cl2N6/c26-20-5-4-19(22(27)15-20)16-30-23-6-11-29-24(31-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-18H2,(H,29,30,31)
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| InChIKey |
OJZLGTGMVQJHRD-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