General Information of the Compound
| Compound ID |
CP0487307
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| Compound Name |
tert-butyl N-[6-[(1S,2S,6R,14R,15R,16S,20R)-11-hydroxy-15-methoxy-5-methyl-17,19-dioxo-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraen-18-yl]hexyl]carbamate
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| Structure |
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| Formula |
C33H43N3O7
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| Molecular Weight |
593.721
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| Canonical SMILES |
CO[C@]12C=C[C@@]3([C@H]4[C@@H]1C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C4=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
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| InChI |
InChI=1S/C33H43N3O7/c1-30(2,3)43-29(40)34-15-8-6-7-9-16-36-26(38)23-24(27(36)39)33(41-5)13-12-31(23)21-18-19-10-11-20(37)25-22(19)32(31,28(33)42-25)14-17-35(21)4/h10-13,21,23-24,28,37H,6-9,14-18H2,1-5H3,(H,34,40)/t21-,23+,24-,28-,31+,32+,33-/m1/s1
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| InChIKey |
WXDLWTYKSQMFDU-HCKJFIJVSA-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