General Information of the Compound
| Compound ID |
CP0496335
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| Compound Name |
(16S,17R)-16-{[3-(dimethylamino)pyrrolidin-1-yl]carbonyl}-16,17-dihydroxy-4,14,19-triazaheptacyclo[12.11.2.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]heptacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-3,5-dione
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| Structure |
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| Formula |
C31H29N5O5
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| Molecular Weight |
551.603
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| Canonical SMILES |
CN(C)C1CCN(C1)C(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23
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| InChI |
InChI=1S/C31H29N5O5/c1-33(2)16-11-12-34(13-16)30(40)31(41)15-36-20-10-6-4-8-18(20)23-25-24(28(38)32-29(25)39)22-17-7-3-5-9-19(17)35(14-21(31)37)26(22)27(23)36/h3-10,16,21,37,41H,11-15H2,1-2H3,(H,32,38,39)/t16?,21-,31+/m1/s1
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| InChIKey |
LHYZJPGCHNNXRH-YFPVIJNISA-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