General Information of the Compound
| Compound ID |
CP0183373
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| Compound Name |
tert-butyl N-[5-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-5-oxopentyl]carbamate
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| Structure |
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| Formula |
C23H25ClN6O4
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| Molecular Weight |
484.944
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C23H25ClN6O4/c1-23(2,3)34-22(32)25-11-5-4-8-18(31)27-21-26-16-10-9-14(24)13-15(16)20-28-19(29-30(20)21)17-7-6-12-33-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,25,32)(H,26,27,31)
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| InChIKey |
NWQOISHEOCXBGE-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