General Information of the Compound
| Compound ID |
CP0448596
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| Compound Name |
3-((S)-2-Hydroxy-6a-methyl-4b,6,6a,10,10a,10b,11,12-octahydro-5H-7,8-diaza-pentaleno[2,1-a]phenanthren-8-yl)-propionitrile
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc1cn(CCC#N)nc21
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| InChI |
InChI=1S/C22H25N3O/c1-22-8-7-18-17-6-4-16(26)11-14(17)3-5-19(18)20(22)12-15-13-25(10-2-9-23)24-21(15)22/h4,6,11,13,18-20,26H,2-3,5,7-8,10,12H2,1H3/t18?,19?,20?,22-/m0/s1
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| InChIKey |
DNLVYIGJMAWARZ-JJECGNGTSA-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