General Information of the Compound
| Compound ID |
CP0635807
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| Compound Name |
(4Z)-6-Iodo-4-[({4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl}amino)methylene]-isoquinoline-1,3(2H,4H)-dione
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| Formula |
C23H25IN4O2
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| Molecular Weight |
516.383
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(I)cc43)cc2)C[C@H](C)N1C
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| InChI |
InChI=1S/C23H25IN4O2/c1-14-12-28(13-15(2)27(14)3)18-7-5-17(6-8-18)25-11-21-20-10-16(24)4-9-19(20)22(29)26-23(21)30/h4-11,14-15,25H,12-13H2,1-3H3,(H,26,29,30)/b21-11-/t14-,15+
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| InChIKey |
TZBBCVNTEOGGFB-UJUSGVOUSA-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