General Information of the Compound
| Compound ID |
CP0572463
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| Compound Name |
US9290488, CC02
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| Formula |
C32H42N4O3
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| Molecular Weight |
530.713
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| Canonical SMILES |
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CCC[C@H]2C(O)=O)c1=O
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| InChI |
InChI=1S/C32H42N4O3/c1-32-18-19-12-20(32)14-21(32)15-24(13-19)35-22-6-4-7-23(35)17-25(16-22)36-27-9-3-2-8-26(27)33-29(30(36)37)34-11-5-10-28(34)31(38)39/h2-3,8-9,19-25,28H,4-7,10-18H2,1H3,(H,38,39)/t19-,20+,21+,22-,23+,24-,25+,28+,32?/m1/s1
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| InChIKey |
TWOHYSGFUMRTOK-DJXZHOHSSA-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