General Information of the Compound
| Compound ID |
CP0488233
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| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-17-(5-methoxypyridin-3-yl)-10,13-dimethyl-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 |
C30H36N4O2
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| Molecular Weight |
484.644
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| Canonical SMILES |
COc1cncc(c1)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)c1ccnnc1
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| InChI |
InChI=1S/C30H36N4O2/c1-29-11-8-22(34-28(35)19-10-13-32-33-17-19)15-21(29)4-5-24-26-7-6-25(30(26,2)12-9-27(24)29)20-14-23(36-3)18-31-16-20/h4,6,10,13-14,16-18,22,24,26-27H,5,7-9,11-12,15H2,1-3H3,(H,34,35)/t22-,24-,26-,27-,29-,30+/m0/s1
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| InChIKey |
QXULXBUICMCOKS-PRRVXOGTSA-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