General Information of the Compound
| Compound ID |
CP0224971
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| Compound Name |
CHEMBL4798388
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| Formula |
C27H37N3O5
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| Molecular Weight |
483.609
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| Canonical SMILES |
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O
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| InChI |
InChI=1S/C27H37N3O5/c1-14(2)5-6-35-25-18(3-4-21(28-25)30-12-19-20(13-30)22(19)26(32)33)24(31)29-23-16-7-15-8-17(23)11-27(34,9-15)10-16/h3-4,14-17,19-20,22-23,34H,5-13H2,1-2H3,(H,29,31)(H,32,33)/t15?,16?,17?,19-,20+,22+,23?,27?
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| InChIKey |
IXFGEDLOELTAGL-JPCUSUTFSA-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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