General Information of the Compound
| Compound ID |
CP0760763
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| Compound Name |
6-(3-carbamoyl-5-fluorophenyl)-3-(3-chloro-5-methylphenyl)-N,7-dimethyl-N-((S)-pyrrolidin-2-ylmethyl)-3,4-dihydroquinazoline-4-carboxamide
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| Structure |
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| Formula |
C30H31ClFN5O2
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| Molecular Weight |
548.062
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| Canonical SMILES |
Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1
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| InChI |
InChI=1S/C30H31ClFN5O2/c1-17-7-21(31)13-24(8-17)37-16-35-27-9-18(2)25(19-10-20(29(33)38)12-22(32)11-19)14-26(27)28(37)30(39)36(3)15-23-5-4-6-34-23/h7-14,16,23,28,34H,4-6,15H2,1-3H3,(H2,33,38)/t23-,28?/m0/s1
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| InChIKey |
RBNJDDGRVHZDFZ-UHFKCPIBSA-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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