General Information of the Compound
| Compound ID |
CP0507093
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| Compound Name |
Benzoic acid 4-(4-phenylamino-quinazolin-2-ylamino)-cyclohexyl ester
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
O=C(O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1)c1ccccc1
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| InChI |
InChI=1S/C27H26N4O2/c32-26(19-9-3-1-4-10-19)33-22-17-15-21(16-18-22)29-27-30-24-14-8-7-13-23(24)25(31-27)28-20-11-5-2-6-12-20/h1-14,21-22H,15-18H2,(H2,28,29,30,31)/t21-,22-
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| InChIKey |
GSYQNPWHUNGFJL-HZCBDIJESA-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