General Information of the Compound
| Compound ID |
CP0916396
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| Compound Name |
N-arylpiperazine derivative
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| Formula |
C33H41N7O5
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| Molecular Weight |
615.735
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3OC)CC2)NC#N)c1
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| InChI |
InChI=1S/C33H41N7O5/c1-21-28(31(41)44-4)30(29(22(2)38-21)32(42)45-5)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)43-3/h6-12,19,24,30,35,41H,13-18H2,1-5H3,(H2,36,37,39)/b31-28+
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| InChIKey |
XOTKLIIPCWNWBL-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