General Information of the Compound
| Compound ID |
CP0548324
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| Compound Name |
1-methyl-N-[2-[[[6-phenyl-2-(propan-2-ylamino)quinazolin-4-yl]amino]methyl]phenyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C31H36N6O
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| Molecular Weight |
508.67
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| Canonical SMILES |
CC(C)Nc1nc(NCc2ccccc2NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C31H36N6O/c1-21(2)33-31-35-28-16-15-23(22-10-5-4-6-11-22)18-26(28)29(36-31)32-19-24-12-7-8-14-27(24)34-30(38)25-13-9-17-37(3)20-25/h4-8,10-12,14-16,18,21,25H,9,13,17,19-20H2,1-3H3,(H,34,38)(H2,32,33,35,36)
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| InChIKey |
HQIVDOSLMCUDNX-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