General Information of the Compound
| Compound ID |
CP0578511
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| Compound Name |
2-[(2R)-4-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C29H38FN5O3
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| Molecular Weight |
523.653
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)C(C)(C)O
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| InChI |
InChI=1S/C29H38FN5O3/c1-17-16-34(24-5-4-21(12-22(24)30)28(2,3)37)8-9-35(17)27-31-7-6-23(32-27)26(36)33-25-19-10-18-11-20(25)15-29(38,13-18)14-19/h4-7,12,17-20,25,37-38H,8-11,13-16H2,1-3H3,(H,33,36)/t17-,18?,19?,20?,25?,29?/m1/s1
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| InChIKey |
NYPBDBHHZYXQDT-NJIHCMSDSA-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