General Information of the Compound
| Compound ID |
CP0077809
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| Compound Name |
(3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine
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| Structure |
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| Formula |
C28H35N
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| Molecular Weight |
385.595
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| Canonical SMILES |
CCC\C=C(/CCC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
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| InChI |
InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
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| InChIKey |
WRZLRWJDJPFDGG-KTNSFKJWSA-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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