General Information of the Compound
| Compound ID |
CP0702080
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| Compound Name |
3-(3-chloro-5-methylphenyl)-6-(3-fluoro-2-hydroxyphenyl)-N,7-dimethyl-N-{[(2S)-pyrrolidin-2-yl]methyl}-3,4-dihydroquinazoline-4-carboxamide
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| Formula |
C29H30ClFN4O2
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| Molecular Weight |
521.036
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| Canonical SMILES |
Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1
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| InChI |
InChI=1S/C29H30ClFN4O2/c1-17-10-19(30)13-21(11-17)35-16-33-26-12-18(2)23(22-7-4-8-25(31)28(22)36)14-24(26)27(35)29(37)34(3)15-20-6-5-9-32-20/h4,7-8,10-14,16,20,27,32,36H,5-6,9,15H2,1-3H3/t20-,27?/m0/s1
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| InChIKey |
FGVUWBKWBAZBPK-SVQMELKDSA-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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