General Information of the Compound
| Compound ID |
CP0372203
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| Compound Name |
methyl 2-[2-[methyl(5-pyrrolidin-1-ylpentyl)amino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetate
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| Structure |
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| Formula |
C33H40N4O2
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| Molecular Weight |
524.709
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| Canonical SMILES |
COC(=O)CC1N(C(=Nc2ccccc12)N(C)CCCCCN1CCCC1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C33H40N4O2/c1-35(21-9-4-10-22-36-23-11-12-24-36)33-34-30-16-8-7-15-29(30)31(25-32(38)39-2)37(33)28-19-17-27(18-20-28)26-13-5-3-6-14-26/h3,5-8,13-20,31H,4,9-12,21-25H2,1-2H3
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| InChIKey |
JFAIZDYDSIRWGI-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