General Information of the Compound
| Compound ID |
CP0215907
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| Compound Name |
spiro-oxindole, 1
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| Structure |
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| Formula |
C25H29Cl2N3O2
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| Molecular Weight |
474.432
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21
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| InChI |
InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1
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| InChIKey |
XTJVNDMNVIYGHY-QDMVCWPOSA-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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