General Information of the Compound
| Compound ID |
CP0633384
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| Compound Name |
(4Z)-6-Nitro-4-({[4-(4-methylpiperazin-1-yl)phenyl]amino}-methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C21H21N5O4
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| Molecular Weight |
407.43
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc([N+](=O)[O-])cc43)cc2)CC1
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| InChI |
InChI=1S/C21H21N5O4/c1-24-8-10-25(11-9-24)15-4-2-14(3-5-15)22-13-19-18-12-16(26(29)30)6-7-17(18)20(27)23-21(19)28/h2-7,12-13,22H,8-11H2,1H3,(H,23,27,28)/b19-13-
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| InChIKey |
IQYIBKIFNDNAAV-UYRXBGFRSA-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