General Information of the Compound
| Compound ID |
CP0380958
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| Compound Name |
(E)-N-[2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H29F3N6O4S
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| Molecular Weight |
578.617
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| Canonical SMILES |
CN(C)S(=O)(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C26H29F3N6O4S/c1-17-22-16-20(31-24(36)11-6-18-4-8-21(9-5-18)39-26(27,28)29)7-10-23(22)32-25(30-17)35-14-12-19(13-15-35)33-40(37,38)34(2)3/h4-11,16,19,33H,12-15H2,1-3H3,(H,31,36)/b11-6+
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| InChIKey |
IPKAHEIDQLFAOX-IZZDOVSWSA-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