General Information of the Compound
| Compound ID |
CP0338988
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| Compound Name |
7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C24H26N6O2
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| Molecular Weight |
430.512
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| Canonical SMILES |
O=c1[nH]cnc2cc(ccc12)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C24H26N6O2/c31-23-19-5-4-16(12-20(19)26-15-27-23)17-13-21-22(25-14-17)28-24(32-21)30-10-6-18(7-11-30)29-8-2-1-3-9-29/h4-5,12-15,18H,1-3,6-11H2,(H,26,27,31)
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| InChIKey |
NVRMIMQONQVGHQ-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