General Information of the Compound
| Compound ID |
CP0913795
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| Compound Name |
N-arylpiperazine derivative
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| Formula |
C33H38F3N7O4
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| Molecular Weight |
653.706
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C(F)(F)F)CC2)NC#N)c1
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| InChI |
InChI=1S/C33H38F3N7O4/c1-20-27(30(44)46-3)29(28(21(2)41-20)31(45)47-4)22-8-7-9-24(18-22)42-32(40-19-37)39-15-14-38-23-12-16-43(17-13-23)26-11-6-5-10-25(26)33(34,35)36/h5-11,18,23,29,38,44H,12-17H2,1-4H3,(H2,39,40,42)/b30-27+
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| InChIKey |
DKTNBYRKNCTDGA-KDJFERLWSA-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