General Information of the Compound
| Compound ID |
CP0520149
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| Compound Name |
5-[(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-phenyl)-1,8-dioxa-4-aza-spiro[5.5]undec-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C24H27FN4O4
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| Molecular Weight |
454.502
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| Canonical SMILES |
COc1ccccc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1
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| InChI |
InChI=1S/C24H27FN4O4/c1-31-20-5-3-2-4-19(20)17-12-24(15-32-14-17)22(16-6-8-18(25)9-7-16)29(10-11-33-24)13-21-26-23(30)28-27-21/h2-9,17,22H,10-15H2,1H3,(H2,26,27,28,30)/t17-,22+,24?/m1/s1
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| InChIKey |
SPKXPZZAVXNHLY-WHAKPXNHSA-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