General Information of the Compound
| Compound ID |
CP0281327
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| Compound Name |
6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C33H55N7O2
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| Molecular Weight |
581.85
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
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| InChI |
InChI=1S/C33H55N7O2/c1-25(2)38-16-9-17-40(21-20-38)33-35-29-24-31(42-22-10-15-37-13-7-6-8-14-37)30(41-5)23-28(29)32(36-33)34-27-11-18-39(19-12-27)26(3)4/h23-27H,6-22H2,1-5H3,(H,34,35,36)
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| InChIKey |
PMHNIDJCQQOZAE-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