General Information of the Compound
| Compound ID |
CP0551532
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| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(4-methylimidazol-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 |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
Cc1cn(cn1)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/C28H35N5O/c1-18-16-33(17-29-18)25-7-6-23-22-5-4-20-14-21(32-26(34)19-10-13-30-31-15-19)8-11-27(20,2)24(22)9-12-28(23,25)3/h4,7,10,13,15-17,21-24H,5-6,8-9,11-12,14H2,1-3H3,(H,32,34)/t21-,22-,23-,24-,27-,28-/m0/s1
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| InChIKey |
AGGLDJAEDVCHGN-YPZLOKHQSA-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