General Information of the Compound
| Compound ID |
CP0387093
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| Compound Name |
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C26H33FN4O2
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| Molecular Weight |
452.574
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(F)cc(NC(=O)c3ccc(C)nc3)c2C)CCN1C(=O)C1CCCC1
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| InChI |
InChI=1S/C26H33FN4O2/c1-17-8-9-21(14-28-17)25(32)29-24-13-23(27)12-22(19(24)3)16-30-10-11-31(18(2)15-30)26(33)20-6-4-5-7-20/h8-9,12-14,18,20H,4-7,10-11,15-16H2,1-3H3,(H,29,32)/t18-/m0/s1
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| InChIKey |
MXCXNIGURPRICY-SFHVURJKSA-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