General Information of the Compound
| Compound ID |
CP0447584
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| Compound Name |
methyl (1S,12S,14R,15S,18S)-12-(adamantane-1-carbonyloxy)-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
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| Structure |
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| Formula |
C32H42N2O4
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| Molecular Weight |
518.698
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| Canonical SMILES |
CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C[C@H]1[C@@H]2C(=O)OC)OC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C32H42N2O4/c1-4-21-17-34(2)26-12-24-22-7-5-6-8-25(22)33-29(24)27(13-23(21)28(26)30(35)37-3)38-31(36)32-14-18-9-19(15-32)11-20(10-18)16-32/h5-8,18-21,23,26-28,33H,4,9-17H2,1-3H3/t18?,19?,20?,21-,23-,26+,27+,28+,32?/m1/s1
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| InChIKey |
PISDEEMTHYVPRS-APUCHXRISA-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