General Information of the Compound
| Compound ID |
CP0185392
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| Compound Name |
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H19N5O
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| Molecular Weight |
357.417
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| Canonical SMILES |
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C21H19N5O/c27-21-16-8-14(15-9-23-24-10-15)6-7-19(16)25-20(26-21)18-12-22-11-17(18)13-4-2-1-3-5-13/h1-10,17-18,22H,11-12H2,(H,23,24)(H,25,26,27)/t17-,18+/m0/s1
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| InChIKey |
CJDWZZDGEKRVQD-ZWKOTPCHSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound