General Information of the Compound
| Compound ID |
CP0488480
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| Compound Name |
(11R,12R,13R,14S)-13-cyclopropyl-12-[4-methoxy-3-(3-morpholin-4-ylpropoxy)phenyl]-15,15-dimethyl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C33H40N2O5
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| Molecular Weight |
544.692
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| Canonical SMILES |
COc1ccc(cc1OCCCN1CCOCC1)[C@@H]1[C@@H](C2CC2)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C33H40N2O5/c1-33(2)30-27(20-9-10-20)26(28(30)29-31(40-33)22-7-4-5-8-23(22)34-32(29)36)21-11-12-24(37-3)25(19-21)39-16-6-13-35-14-17-38-18-15-35/h4-5,7-8,11-12,19-20,26-28,30H,6,9-10,13-18H2,1-3H3,(H,34,36)/t26-,27-,28+,30+/m1/s1
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| InChIKey |
CXGYFAOORWENRE-LWFIHPCQSA-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