General Information of the Compound
| Compound ID |
CP0431745
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| Compound Name |
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(R)-hydroxy-(4-methoxyphenyl)methyl]-15-methoxy-16-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
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| Structure |
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| Formula |
C32H39NO5
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| Molecular Weight |
517.666
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
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| InChI |
InChI=1S/C32H39NO5/c1-29(27(35)20-6-9-22(36-2)10-7-20)18-30-12-13-32(29,37-3)28-31(30)14-15-33(17-19-4-5-19)24(30)16-21-8-11-23(34)26(38-28)25(21)31/h6-11,19,24,27-28,34-35H,4-5,12-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1
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| InChIKey |
ZRDWOOPZQAVHOE-XOSCKEEYSA-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