General Information of the Compound
| Compound ID |
CP0354334
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| Compound Name |
5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H31ClN6O2
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| Molecular Weight |
471.005
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O
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| InChI |
InChI=1S/C24H31ClN6O2/c1-3-19-15-30(23-16(2)28-21(14-27-23)22(26)32)12-13-31(19)20-8-10-29(11-9-20)24(33)17-4-6-18(25)7-5-17/h4-7,14,19-20H,3,8-13,15H2,1-2H3,(H2,26,32)/t19-/m0/s1
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| InChIKey |
IYVRWLFNLXESLI-IBGZPJMESA-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