General Information of the Compound
| Compound ID |
CP0373364
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| Compound Name |
tert-butyl N-[5-[2-anilino-4-[2-(benzylamino)-2-oxoethyl]-4H-quinazolin-3-yl]pentyl]carbamate
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| Structure |
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| Formula |
C33H41N5O3
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| Molecular Weight |
555.723
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCN1C(CC(=O)NCc2ccccc2)c2ccccc2N=C1Nc1ccccc1
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| InChI |
InChI=1S/C33H41N5O3/c1-33(2,3)41-32(40)34-21-13-6-14-22-38-29(23-30(39)35-24-25-15-7-4-8-16-25)27-19-11-12-20-28(27)37-31(38)36-26-17-9-5-10-18-26/h4-5,7-12,15-20,29H,6,13-14,21-24H2,1-3H3,(H,34,40)(H,35,39)(H,36,37)
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| InChIKey |
OLOBWROGPOMSIZ-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