General Information of the Compound
| Compound ID |
CP0157669
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| Compound Name |
Indolinone based compound, 22
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| Structure |
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| Formula |
C24H30N6O3
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| Molecular Weight |
450.543
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| Canonical SMILES |
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
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| InChI |
InChI=1S/C24H30N6O3/c1-15(22-18-12-17(28-24(25)33)5-6-19(18)29-23(22)32)20-11-16(13-26-20)14-27-21(31)7-10-30-8-3-2-4-9-30/h5-6,11-13,26H,2-4,7-10,14H2,1H3,(H,27,31)(H,29,32)(H3,25,28,33)/b22-15-
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| InChIKey |
UKOYDWAFPPPEKW-JCMHNJIXSA-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