General Information of the Compound
| Compound ID |
CP0914733
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| Compound Name |
N-arylpiperazine derivative
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| Formula |
C33H38N8O4
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| Molecular Weight |
610.719
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C#N)CC2)NC#N)c1
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| InChI |
InChI=1S/C33H38N8O4/c1-21-28(31(42)44-3)30(29(22(2)39-21)32(43)45-4)23-9-7-10-26(18-23)40-33(38-20-35)37-15-14-36-25-12-16-41(17-13-25)27-11-6-5-8-24(27)19-34/h5-11,18,25,30,36,42H,12-17H2,1-4H3,(H2,37,38,40)/b31-28+
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| InChIKey |
KUPPGUMQBGVXQH-CCFHIKDMSA-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