General Information of the Compound
| Compound ID |
CP0569111
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| Compound Name |
5-chloro-3-(3-fluorophenyl)-2-[(2S,5S)-5-methyl-1-(7H-purin-6-yl)pyrrolidin-2-yl]quinazolin-4-one
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| Structure |
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| Formula |
C24H19ClFN7O
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| Molecular Weight |
475.915
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| Canonical SMILES |
C[C@H]1CC[C@H](N1c1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C24H19ClFN7O/c1-13-8-9-18(32(13)23-20-21(28-11-27-20)29-12-30-23)22-31-17-7-3-6-16(25)19(17)24(34)33(22)15-5-2-4-14(26)10-15/h2-7,10-13,18H,8-9H2,1H3,(H,27,28,29,30)/t13-,18-/m0/s1
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| InChIKey |
VAZGOYCOZCCRPI-UGSOOPFHSA-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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