General Information of the Compound
| Compound ID |
CP0290996
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| Compound Name |
7-(1,2-dihydroxyethyl)-4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C30H23FN4O4
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| Molecular Weight |
522.536
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| Canonical SMILES |
Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO
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| InChI |
InChI=1S/C30H23FN4O4/c1-15-18(3-2-4-25(15)35-14-33-23-10-6-17(31)12-22(23)30(35)39)19-8-9-21(29(32)38)28-27(19)20-7-5-16(26(37)13-36)11-24(20)34-28/h2-12,14,26,34,36-37H,13H2,1H3,(H2,32,38)
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| InChIKey |
YEHLSDJVCGOMHS-UHFFFAOYSA-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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