General Information of the Compound
| Compound ID |
CP0502047
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| Compound Name |
2-cyclopropyl-N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C25H31N5O
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| Molecular Weight |
417.557
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| Canonical SMILES |
COc1ccccc1N1CCN(C[C@H](C)Nc2nc(nc3ccccc23)C2CC2)CC1
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| InChI |
InChI=1S/C25H31N5O/c1-18(17-29-13-15-30(16-14-29)22-9-5-6-10-23(22)31-2)26-25-20-7-3-4-8-21(20)27-24(28-25)19-11-12-19/h3-10,18-19H,11-17H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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| InChIKey |
DVJBHFKQRUZCLO-SFHVURJKSA-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