General Information of the Compound
| Compound ID |
CP0574892
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| Compound Name |
N-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C30H39N7O
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| Molecular Weight |
513.69
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| Canonical SMILES |
CC1(C)CCN(Cc2ccc(cn2)C(=O)NC2CCN(CC2)c2cc(NCc3ccccc3)ncn2)CC1
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| InChI |
InChI=1S/C30H39N7O/c1-30(2)12-16-36(17-13-30)21-26-9-8-24(20-31-26)29(38)35-25-10-14-37(15-11-25)28-18-27(33-22-34-28)32-19-23-6-4-3-5-7-23/h3-9,18,20,22,25H,10-17,19,21H2,1-2H3,(H,35,38)(H,32,33,34)
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| InChIKey |
WPMULMRBSZTEGN-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