General Information of the Compound
| Compound ID |
CP0512320
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| Compound Name |
Acetic acid 4-(4-phenylamino-quinazolin-2-ylamino)-cyclohexyl ester
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1
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| InChI |
InChI=1S/C22H24N4O2/c1-15(27)28-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-16-7-3-2-4-8-16/h2-10,17-18H,11-14H2,1H3,(H2,23,24,25,26)/t17-,18-
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| InChIKey |
ILTWEJJNFNHNJJ-IYARVYRRSA-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