General Information of the Compound
| Compound ID |
CP0765978
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| Compound Name |
3-(3-chloro-5-methylphenyl)-6-(3-cyano-5-fluorophenyl)-N,7-dimethyl-N-((S)-pyrrolidin-2-ylmethyl)-3,4-dihydroquinazoline-4-carboxamide
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| Structure |
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| Formula |
C30H29ClFN5O
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| Molecular Weight |
530.047
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| Canonical SMILES |
Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1
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| InChI |
InChI=1S/C30H29ClFN5O/c1-18-7-22(31)13-25(8-18)37-17-35-28-9-19(2)26(21-10-20(15-33)11-23(32)12-21)14-27(28)29(37)30(38)36(3)16-24-5-4-6-34-24/h7-14,17,24,29,34H,4-6,16H2,1-3H3/t24-,29?/m0/s1
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| InChIKey |
XBXIOUVYDBSJNN-CTLOQAHHSA-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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