General Information of the Compound
| Compound ID |
CP0283742
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| Compound Name |
(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-(difluoromethyl)-4-methylidenecyclohexan-1-ol
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| Synonyms |
CHEMBL220140
KSP-BCS-1-alpha-CHF2-1624F2-2
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| Structure |
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| Formula |
C30H44F4O2
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| Molecular Weight |
512.672
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| Canonical SMILES |
CCC(O)(CC)C(F)(F)CC[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](C(F)F)C1=C
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| InChI |
InChI=1S/C30H44F4O2/c1-6-29(36,7-2)30(33,34)16-14-19(3)25-12-13-26-21(9-8-15-28(25,26)5)10-11-22-17-23(35)18-24(20(22)4)27(31)32/h10-12,19,23-24,26-27,35-36H,4,6-9,13-18H2,1-3,5H3/b21-10+,22-11-/t19-,23-,24+,26+,28-/m1/s1
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| InChIKey |
CUKDGTJRZFQGCK-HBXJJCJFSA-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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Clinical Information about the Compound