General Information of the Compound
| Compound ID |
CP0414881
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| Compound Name |
(3S,10R,13S)-17-Benzotriazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1nnc2ccccc12
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| InChI |
InChI=1S/C25H31N3O/c1-24-13-11-17(29)15-16(24)7-8-18-19-9-10-23(25(19,2)14-12-20(18)24)28-22-6-4-3-5-21(22)26-27-28/h3-7,10,17-20,29H,8-9,11-15H2,1-2H3/t17-,18?,19?,20?,24-,25-/m0/s1
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| InChIKey |
MDYLOCDGCAUDBS-UFOVVPIISA-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