General Information of the Compound
| Compound ID |
CP0501214
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| Compound Name |
7-[(3S,6R,9S,12R)-3-[(2R)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]-N-hydroxyheptanamide
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| Structure |
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| Formula |
C31H47N5O7
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| Molecular Weight |
601.745
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| Canonical SMILES |
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCCC(=O)NO)NC(=O)[C@H]2CCCCN2C1=O
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| InChI |
InChI=1S/C31H47N5O7/c1-4-20(2)27-31(41)36-18-10-9-12-25(36)30(40)32-23(11-7-5-6-8-13-26(37)35-42)28(38)33-24(29(39)34-27)19-21-14-16-22(43-3)17-15-21/h14-17,20,23-25,27,42H,4-13,18-19H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,35,37)/t20-,23+,24-,25-,27+/m1/s1
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| InChIKey |
IDNMSLGHIWCDPW-JNKSKZIFSA-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