General Information of the Compound
| Compound ID |
CP0562331
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| Compound Name |
(8R,9S,13S,14R,15S,17S)-N-ethyl-17-methoxy-13-methyl-3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15-carboxamide
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| Structure |
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| Formula |
C30H46N2O3
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| Molecular Weight |
482.709
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| Canonical SMILES |
CCNC(=O)[C@H]1C[C@H](OC)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCN5CCC[C@H]5C)ccc34)[C@H]12
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| InChI |
InChI=1S/C30H46N2O3/c1-5-31-29(33)26-19-27(34-4)30(3)14-13-24-23-12-10-22(18-21(23)9-11-25(24)28(26)30)35-17-7-16-32-15-6-8-20(32)2/h10,12,18,20,24-28H,5-9,11,13-17,19H2,1-4H3,(H,31,33)/t20-,24-,25-,26+,27+,28-,30-/m1/s1
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| InChIKey |
JNLHGOPYFNDPSI-VTEPQGCUSA-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