General Information of the Compound
| Compound ID |
CP0100535
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| Compound Name |
tert-butyl N-[7-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-7-oxoheptyl]carbamate
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| Structure |
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| Formula |
C25H29ClN6O4
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| Molecular Weight |
512.998
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C25H29ClN6O4/c1-25(2,3)36-24(34)27-13-7-5-4-6-10-20(33)29-23-28-18-12-11-16(26)15-17(18)22-30-21(31-32(22)23)19-9-8-14-35-19/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,27,34)(H,28,29,33)
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| InChIKey |
NZBRTWDJHACSSA-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