General Information of the Compound
| Compound ID |
CP0428063
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| Compound Name |
(S)-8-(2-Methoxy-ethyl)-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 |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
COCCn1cc2CC3C4CCc5cc(O)ccc5C4CC[C@]3(C)c2n1
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| InChI |
InChI=1S/C22H28N2O2/c1-22-8-7-18-17-6-4-16(25)11-14(17)3-5-19(18)20(22)12-15-13-24(9-10-26-2)23-21(15)22/h4,6,11,13,18-20,25H,3,5,7-10,12H2,1-2H3/t18?,19?,20?,22-/m0/s1
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| InChIKey |
YSZGTYAHCXJWGC-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