General Information of the Compound
| Compound ID |
CP0098764
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| Compound Name |
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C32H33N7O5S
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| Molecular Weight |
627.727
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| Canonical SMILES |
NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C32H33N7O5S/c33-27(40)16-25(39-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22)29(42)37-24(13-7-15-36-31(34)35)28(41)30-38-23-12-5-6-14-26(23)45-30/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H2,33,40)(H,37,42)(H,39,43)(H4,34,35,36)/t24-,25-/m0/s1
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| InChIKey |
MZLDHCSWGXPGJS-DQEYMECFSA-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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