General Information of the Compound
| Compound ID |
CP0421177
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| Compound Name |
tert-butyl N-[5-[[4-[2-(benzylamino)-2-oxoethyl]-3-(4-phenylphenyl)-1,4-dihydroquinazolin-2-ylidene]amino]pentyl]carbamate
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| Structure |
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| Formula |
C39H45N5O3
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| Molecular Weight |
631.821
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCNC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C39H45N5O3/c1-39(2,3)47-38(46)41-26-14-6-13-25-40-37-43-34-20-12-11-19-33(34)35(27-36(45)42-28-29-15-7-4-8-16-29)44(37)32-23-21-31(22-24-32)30-17-9-5-10-18-30/h4-5,7-12,15-24,35H,6,13-14,25-28H2,1-3H3,(H,40,43)(H,41,46)(H,42,45)
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| InChIKey |
BMCLTRZPRHKBKB-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