General Information of the Compound
| Compound ID |
CP0122523
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| Compound Name |
(8R,9S,14S)-17-acetyl-13-(2-diazoacetyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N
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| InChI |
InChI=1S/C22H28N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-12,16-19H,3-10H2,1-2H3/t16-,17?,18+,19+,21?,22?/m1/s1
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| InChIKey |
BYZYTRSYQSXYLC-OVLDUAHDSA-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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