General Information of the Compound
| Compound ID |
CP0578219
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-pyrimidin-5-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H39N7O2
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| Molecular Weight |
493.656
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| Canonical SMILES |
O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2cncnc2)n(n1)C1CCCC1)NC1CCC1
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| InChI |
InChI=1S/C27H39N7O2/c35-26(30-21-7-6-8-21)15-22(11-14-33-12-4-1-5-13-33)31-27(36)24-16-25(20-17-28-19-29-18-20)34(32-24)23-9-2-3-10-23/h16-19,21-23H,1-15H2,(H,30,35)(H,31,36)/t22-/m0/s1
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| InChIKey |
MEXGNOALLDNWHF-QFIPXVFZSA-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