General Information of the Compound
| Compound ID |
CP0963635
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| Compound Name |
4-(4-(3-aminopyrrolidine-1-carbonyl)phenethylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C22H22N6O
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| Molecular Weight |
386.459
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| Canonical SMILES |
N#Cc1ccc2ncnc(NCCc3ccc(C(=O)N4CCC(N)C4)cc3)c2c1
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| InChI |
InChI=1S/C22H22N6O/c23-12-16-3-6-20-19(11-16)21(27-14-26-20)25-9-7-15-1-4-17(5-2-15)22(29)28-10-8-18(24)13-28/h1-6,11,14,18H,7-10,13,24H2,(H,25,26,27)
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| InChIKey |
AACMTGFJUPSOMN-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