General Information of the Compound
| Compound ID |
CP0559974
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| Compound Name |
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
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| Structure |
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| Formula |
C29H23N3O4
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| Molecular Weight |
477.52
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| Canonical SMILES |
Cn1c(c(C(=O)COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C29H23N3O4/c1-31-23-11-6-5-10-21(23)26(27(31)18-8-3-2-4-9-18)24(33)17-36-29(35)19-13-14-20-22(16-19)30-25-12-7-15-32(25)28(20)34/h2-6,8-11,13-14,16H,7,12,15,17H2,1H3
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| InChIKey |
MBXKJRPANUBCQC-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