General Information of the Compound
| Compound ID |
CP0635808
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| Compound Name |
(4Z)-4-({[4-(3,5-Dimethylpiperazin-1-yl)phenyl]amino}methylene)-6-iodoisoquinoline-1,3(2H,4H)-dione
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| Formula |
C22H23IN4O2
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| Molecular Weight |
502.356
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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)N1
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| InChI |
InChI=1S/C22H23IN4O2/c1-13-11-27(12-14(2)25-13)17-6-4-16(5-7-17)24-10-20-19-9-15(23)3-8-18(19)21(28)26-22(20)29/h3-10,13-14,24-25H,11-12H2,1-2H3,(H,26,28,29)/b20-10-/t13-,14+
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| InChIKey |
ZIVLFDMMNBLLLE-XVWIAEIPSA-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