General Information of the Compound
| Compound ID |
CP0571969
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| Compound Name |
4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
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| Structure |
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| Formula |
C24H37N7O
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| Molecular Weight |
439.608
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| Canonical SMILES |
CNc1cc(ncn1)N1CCC(O)(CNc2ccc(CN3CCC(C)(C)CC3)nc2)CC1
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| InChI |
InChI=1S/C24H37N7O/c1-23(2)6-10-30(11-7-23)16-20-5-4-19(15-26-20)27-17-24(32)8-12-31(13-9-24)22-14-21(25-3)28-18-29-22/h4-5,14-15,18,27,32H,6-13,16-17H2,1-3H3,(H,25,28,29)
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| InChIKey |
NYWRSYQNAIHTSQ-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