General Information of the Compound
| Compound ID |
CP0391960
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| Compound Name |
1-[6-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C24H20ClN5O2
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| Molecular Weight |
445.91
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| Canonical SMILES |
COc1cc2CCN(C(=O)C=C)c2cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H20ClN5O2/c1-3-22(31)30-9-8-14-10-21(32-2)19(11-20(14)30)28-24-27-13-17(25)23(29-24)16-12-26-18-7-5-4-6-15(16)18/h3-7,10-13,26H,1,8-9H2,2H3,(H,27,28,29)
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| InChIKey |
FHGXREVAXMGQHY-UHFFFAOYSA-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