General Information of the Compound
| Compound ID |
CP0152273
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| Compound Name |
17-(2-diazoacetyl)-10,13-dimethyl-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 |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)[CH-][N+]#N
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| InChI |
InChI=1S/C21H28N2O2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(25)12-23-22)21(16,2)10-8-17(15)20/h11-12,15-18H,3-10H2,1-2H3
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| InChIKey |
LCUJWGFEKPBUNF-UHFFFAOYSA-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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