General Information of the Compound
| Compound ID |
CP0557479
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| Compound Name |
1-[(3S)-3-methyl-4-[7-(5-methyl-1H-indazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
C[C@H]1CN(CCN1c1ncnc2CC(CCc12)c1c(C)ccc2[nH]ncc12)C(=O)C=C
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| InChI |
InChI=1S/C24H28N6O/c1-4-22(31)29-9-10-30(16(3)13-29)24-18-7-6-17(11-21(18)25-14-26-24)23-15(2)5-8-20-19(23)12-27-28-20/h4-5,8,12,14,16-17H,1,6-7,9-11,13H2,2-3H3,(H,27,28)/t16-,17?/m0/s1
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| InChIKey |
MBPPZCHPUVJHGP-BHWOMJMDSA-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