General Information of the Compound
| Compound ID |
CP0428019
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| Compound Name |
(S)-9-Hydroxymethyl-6a-methyl-4b,5,6,6a,8,10,10a,10b,11,12-decahydro-7,8-diaza-pentaleno[2,1-a]phenanthren-2-ol
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc1c(CO)n[nH]c21
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| InChI |
InChI=1S/C20H24N2O2/c1-20-7-6-14-13-5-3-12(24)8-11(13)2-4-15(14)17(20)9-16-18(10-23)21-22-19(16)20/h3,5,8,14-15,17,23-24H,2,4,6-7,9-10H2,1H3,(H,21,22)/t14?,15?,17?,20-/m0/s1
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| InChIKey |
SNBPYSMEZNAVIZ-ZXGDDTLZSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound