General Information of the Compound
| Compound ID |
CP0315690
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| Compound Name |
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-yl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C28H33FN4O3S
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| Molecular Weight |
524.662
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| Canonical SMILES |
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1
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| InChI |
InChI=1S/C28H33FN4O3S/c1-21(2)36-27-9-4-6-23(16-27)19-31-15-12-28(18-22(31)3)20-32(25-10-13-30-14-11-25)37(34,35)33(28)26-8-5-7-24(29)17-26/h4-11,13-14,16-17,21-22H,12,15,18-20H2,1-3H3/t22-,28+/m0/s1
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| InChIKey |
JBBICBSNEXRPNM-RBISFHTESA-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