General Information of the Compound
| Compound ID |
CP0353077
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| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]pyridazine-4-carboxamide
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| Structure |
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| Formula |
C26H32N6O
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| Molecular Weight |
444.583
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)[C@@H]1CC=C2n1ccnn1
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| InChI |
InChI=1S/C26H32N6O/c1-25-10-7-19(30-24(33)17-9-12-27-29-16-17)15-18(25)3-4-20-21-5-6-23(32-14-13-28-31-32)26(21,2)11-8-22(20)25/h3,6,9,12-14,16,19-22H,4-5,7-8,10-11,15H2,1-2H3,(H,30,33)/t19-,20-,21-,22-,25-,26-/m0/s1
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| InChIKey |
CXXULIBVDAQXMX-BNCSLUSBSA-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