General Information of the Compound
| Compound ID |
CP0862678
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| Compound Name |
N-arylpiperazine derivative
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| Formula |
C32H38N8O6
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| Molecular Weight |
630.706
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)NC#N)c1
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| InChI |
InChI=1S/C32H38N8O6/c1-20-27(30(41)45-3)29(28(21(2)37-20)31(42)46-4)22-8-7-9-24(18-22)38-32(36-19-33)35-15-14-34-23-12-16-39(17-13-23)25-10-5-6-11-26(25)40(43)44/h5-11,18,23,29,34,41H,12-17H2,1-4H3,(H2,35,36,38)/b30-27+
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| InChIKey |
XDPJLISZGCMWEJ-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