General Information of the Compound
| Compound ID |
CP0461657
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| Compound Name |
spiro-oxindole, 4
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| Structure |
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| Formula |
C29H36Cl2N4O3
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| Molecular Weight |
559.538
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| Canonical SMILES |
CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C29H36Cl2N4O3/c1-28(2,3)17-23-29(21-8-7-20(31)16-22(21)33-27(29)37)24(18-5-4-6-19(30)15-18)25(34-23)26(36)32-9-10-35-11-13-38-14-12-35/h4-8,15-16,23-25,34H,9-14,17H2,1-3H3,(H,32,36)(H,33,37)/t23-,24+,25-,29+/m1/s1
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| InChIKey |
GXAPJIXXSLQQBJ-ZTVFFDQVSA-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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