General Information of the Compound
| Compound ID |
CP0557062
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-2-[(2R)-4-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpiperazin-1-yl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C29H39N5O3
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| Molecular Weight |
505.663
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)C(C)(C)O
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| InChI |
InChI=1S/C29H39N5O3/c1-18-17-33(23-6-4-22(5-7-23)28(2,3)36)10-11-34(18)27-30-9-8-24(31-27)26(35)32-25-20-12-19-13-21(25)16-29(37,14-19)15-20/h4-9,18-21,25,36-37H,10-17H2,1-3H3,(H,32,35)/t18-,19?,20?,21?,25?,29?/m1/s1
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| InChIKey |
JKZRCLNWRFKMAS-GCMZDFACSA-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