General Information of the Compound
| Compound ID |
CP0515928
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| Compound Name |
2-hydroxy-6a-methyl-5,6,6a,8,10,10a,10b,11-octahydro-4bH-7,8-diaza-pentaleno[2,1-a]phenanthren-12-one
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| Structure |
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| Formula |
C19H20N2O2
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| Molecular Weight |
308.381
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| Canonical SMILES |
C[C@]12CCC3C(CC(=O)c4cc(O)ccc34)C1Cc1cn[nH]c21
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| InChI |
InChI=1S/C19H20N2O2/c1-19-5-4-13-12-3-2-11(22)7-15(12)17(23)8-14(13)16(19)6-10-9-20-21-18(10)19/h2-3,7,9,13-14,16,22H,4-6,8H2,1H3,(H,20,21)/t13?,14?,16?,19-/m0/s1
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| InChIKey |
HONHOVMTYLCVSZ-RYCRIANLSA-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