General Information of the Compound
| Compound ID |
CP0444373
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| Compound Name |
methyl (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylate
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| Structure |
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| Formula |
C32H47NO3
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| Molecular Weight |
493.732
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| Canonical SMILES |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5cnoc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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| InChI |
InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-33-36-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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| InChIKey |
IWGICSHFGAAQJD-QROXQBBHSA-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